USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1140 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 123 ASN : amide:sc= 0 X(o=-0.11,f=-0.0043) USER MOD Set 1.2: A 124 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Set 2.1: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.4 (180deg=1.09) USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0813) USER MOD Single : A 4 THR OG1 : rot 51:sc= 0.0977 USER MOD Single : A 7 SER OG : rot -139:sc= 0.0172 USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.0789 (180deg=-0.474) USER MOD Single : A 15 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= 0.833 (180deg=0.636) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.0192 (180deg=-0.219) USER MOD Single : A 23 ASN : amide:sc= -0.0732 K(o=-0.073,f=-1.3!) USER MOD Single : A 24 MET CE :methyl -155:sc= -0.0445 (180deg=-0.372) USER MOD Single : A 29 THR OG1 : rot -150:sc= 0.246 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc=-0.000478 (180deg=-0.0902) USER MOD Single : A 47 SER OG : rot 180:sc= -0.426 USER MOD Single : A 53 MET CE :methyl 164:sc= -0.574 (180deg=-1.15) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -103:sc= -1.36! USER MOD Single : A 63 SER OG : rot -126:sc= 0.0632 USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= -3.15! (180deg=-4.5!) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 0.0878 (180deg=0.0718) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0.677 (180deg=0.601) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0258 USER MOD Single : A 91 HIS : no HE2:sc= -0.538 K(o=-0.54,f=-1) USER MOD Single : A 93 TYR OH : rot 180:sc= 0.0664 USER MOD Single : A 100 ASN : amide:sc= -0.721 K(o=-0.72,f=-3.7!) USER MOD Single : A 101 TYR OH : rot -99:sc= -0.111 USER MOD Single : A 107 HIS : no HE2:sc= 0.849 K(o=0.85,f=-2.6!) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 112 LYS NZ :NH3+ 177:sc= 0.251 (180deg=0.248) USER MOD Single : A 113 LYS NZ :NH3+ -157:sc= -0.713 (180deg=-1.65!) USER MOD Single : A 118 TYR OH : rot 36:sc= -3.48! USER MOD Single : A 119 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.011) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=-0.014) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 HIS : no HD1:sc= 0.392 K(o=0.39,f=-1.5) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.143 -7.628 9.097 1.00 73.53 N ATOM 2 CA MET A 1 0.741 -8.043 7.734 1.00 63.33 C ATOM 3 C MET A 1 -0.688 -7.598 7.432 1.00 74.13 C ATOM 4 O MET A 1 -0.946 -6.965 6.407 1.00 62.00 O ATOM 5 CB MET A 1 0.865 -9.569 7.582 1.00 33.14 C ATOM 6 CG MET A 1 0.452 -10.094 6.211 1.00 51.32 C ATOM 7 SD MET A 1 0.431 -11.894 6.137 1.00 15.01 S ATOM 8 CE MET A 1 -0.166 -12.131 4.466 1.00 40.22 C ATOM 0 H1 MET A 1 2.181 -7.626 9.167 1.00 73.53 H new ATOM 0 H2 MET A 1 0.781 -6.672 9.290 1.00 73.53 H new ATOM 0 H3 MET A 1 0.750 -8.294 9.793 1.00 73.53 H new ATOM 0 HA MET A 1 1.409 -7.562 7.020 1.00 63.33 H new ATOM 0 HB2 MET A 1 1.898 -9.860 7.774 1.00 33.14 H new ATOM 0 HB3 MET A 1 0.251 -10.050 8.343 1.00 33.14 H new ATOM 0 HG2 MET A 1 -0.538 -9.712 5.963 1.00 51.32 H new ATOM 0 HG3 MET A 1 1.140 -9.711 5.457 1.00 51.32 H new ATOM 0 HE1 MET A 1 -0.239 -13.198 4.253 1.00 40.22 H new ATOM 0 HE2 MET A 1 -1.149 -11.672 4.363 1.00 40.22 H new ATOM 0 HE3 MET A 1 0.526 -11.667 3.763 1.00 40.22 H new ATOM 20 N LEU A 2 -1.608 -7.916 8.331 1.00 43.03 N ATOM 21 CA LEU A 2 -3.012 -7.666 8.093 1.00 50.11 C ATOM 22 C LEU A 2 -3.555 -6.566 8.997 1.00 1.01 C ATOM 23 O LEU A 2 -3.425 -6.632 10.223 1.00 33.11 O ATOM 24 CB LEU A 2 -3.820 -8.974 8.229 1.00 63.13 C ATOM 25 CG LEU A 2 -3.506 -9.858 9.451 1.00 33.50 C ATOM 26 CD1 LEU A 2 -4.565 -9.710 10.536 1.00 61.51 C ATOM 27 CD2 LEU A 2 -3.373 -11.308 9.028 1.00 54.12 C ATOM 0 H LEU A 2 -1.402 -8.348 9.232 1.00 43.03 H new ATOM 0 HA LEU A 2 -3.122 -7.305 7.070 1.00 50.11 H new ATOM 0 HB2 LEU A 2 -4.879 -8.718 8.257 1.00 63.13 H new ATOM 0 HB3 LEU A 2 -3.660 -9.568 7.329 1.00 63.13 H new ATOM 0 HG LEU A 2 -2.557 -9.524 9.872 1.00 33.50 H new ATOM 0 HD11 LEU A 2 -4.310 -10.348 11.382 1.00 61.51 H new ATOM 0 HD12 LEU A 2 -4.607 -8.671 10.864 1.00 61.51 H new ATOM 0 HD13 LEU A 2 -5.536 -10.004 10.139 1.00 61.51 H new ATOM 0 HD21 LEU A 2 -3.151 -11.923 9.900 1.00 54.12 H new ATOM 0 HD22 LEU A 2 -4.307 -11.642 8.577 1.00 54.12 H new ATOM 0 HD23 LEU A 2 -2.565 -11.403 8.302 1.00 54.12 H new ATOM 39 N LYS A 3 -4.080 -5.512 8.337 1.00 2.31 N ATOM 40 CA LYS A 3 -4.947 -4.474 8.947 1.00 52.12 C ATOM 41 C LYS A 3 -4.265 -3.665 10.064 1.00 53.33 C ATOM 42 O LYS A 3 -4.945 -3.100 10.928 1.00 54.13 O ATOM 43 CB LYS A 3 -6.238 -5.112 9.487 1.00 42.43 C ATOM 44 CG LYS A 3 -7.067 -5.843 8.440 1.00 61.22 C ATOM 45 CD LYS A 3 -8.251 -6.538 9.084 1.00 54.41 C ATOM 46 CE LYS A 3 -9.093 -7.303 8.078 1.00 65.24 C ATOM 47 NZ LYS A 3 -9.695 -6.413 7.051 1.00 64.42 N ATOM 0 H LYS A 3 -3.911 -5.353 7.344 1.00 2.31 H new ATOM 0 HA LYS A 3 -5.173 -3.768 8.148 1.00 52.12 H new ATOM 0 HB2 LYS A 3 -5.978 -5.813 10.280 1.00 42.43 H new ATOM 0 HB3 LYS A 3 -6.852 -4.333 9.939 1.00 42.43 H new ATOM 0 HG2 LYS A 3 -7.419 -5.136 7.689 1.00 61.22 H new ATOM 0 HG3 LYS A 3 -6.446 -6.575 7.923 1.00 61.22 H new ATOM 0 HD2 LYS A 3 -7.892 -7.225 9.850 1.00 54.41 H new ATOM 0 HD3 LYS A 3 -8.874 -5.798 9.586 1.00 54.41 H new ATOM 0 HE2 LYS A 3 -8.474 -8.054 7.587 1.00 65.24 H new ATOM 0 HE3 LYS A 3 -9.886 -7.836 8.603 1.00 65.24 H new ATOM 0 HZ1 LYS A 3 -10.378 -6.952 6.482 1.00 64.42 H new ATOM 0 HZ2 LYS A 3 -10.182 -5.622 7.519 1.00 64.42 H new ATOM 0 HZ3 LYS A 3 -8.946 -6.041 6.432 1.00 64.42 H new ATOM 61 N THR A 4 -2.941 -3.570 10.025 1.00 42.31 N ATOM 62 CA THR A 4 -2.203 -2.902 11.090 1.00 12.22 C ATOM 63 C THR A 4 -1.835 -1.490 10.650 1.00 40.14 C ATOM 64 O THR A 4 -1.998 -0.533 11.400 1.00 12.22 O ATOM 65 CB THR A 4 -0.954 -3.719 11.501 1.00 73.10 C ATOM 66 OG1 THR A 4 -1.358 -5.048 11.872 1.00 72.45 O ATOM 67 CG2 THR A 4 -0.200 -3.076 12.662 1.00 3.25 C ATOM 0 H THR A 4 -2.361 -3.944 9.274 1.00 42.31 H new ATOM 0 HA THR A 4 -2.838 -2.832 11.973 1.00 12.22 H new ATOM 0 HB THR A 4 -0.279 -3.747 10.645 1.00 73.10 H new ATOM 0 HG1 THR A 4 -1.919 -5.429 11.164 1.00 72.45 H new ATOM 0 HG21 THR A 4 0.668 -3.685 12.914 1.00 3.25 H new ATOM 0 HG22 THR A 4 0.129 -2.078 12.374 1.00 3.25 H new ATOM 0 HG23 THR A 4 -0.858 -3.005 13.528 1.00 3.25 H new ATOM 75 N ILE A 5 -1.364 -1.368 9.424 1.00 73.03 N ATOM 76 CA ILE A 5 -1.213 -0.075 8.802 1.00 63.44 C ATOM 77 C ILE A 5 -2.512 0.286 8.102 1.00 2.13 C ATOM 78 O ILE A 5 -3.095 -0.517 7.372 1.00 52.32 O ATOM 79 CB ILE A 5 0.028 -0.035 7.853 1.00 62.33 C ATOM 80 CG1 ILE A 5 1.277 0.389 8.639 1.00 22.04 C ATOM 81 CG2 ILE A 5 -0.156 0.846 6.615 1.00 53.11 C ATOM 82 CD1 ILE A 5 1.249 1.812 9.176 1.00 71.24 C ATOM 0 H ILE A 5 -1.079 -2.155 8.840 1.00 73.03 H new ATOM 0 HA ILE A 5 -1.015 0.681 9.562 1.00 63.44 H new ATOM 0 HB ILE A 5 0.152 -1.049 7.472 1.00 62.33 H new ATOM 0 HG12 ILE A 5 1.410 -0.296 9.476 1.00 22.04 H new ATOM 0 HG13 ILE A 5 2.148 0.278 7.994 1.00 22.04 H new ATOM 0 HG21 ILE A 5 0.751 0.818 6.011 1.00 53.11 H new ATOM 0 HG22 ILE A 5 -0.996 0.476 6.027 1.00 53.11 H new ATOM 0 HG23 ILE A 5 -0.354 1.872 6.925 1.00 53.11 H new ATOM 0 HD11 ILE A 5 2.174 2.016 9.715 1.00 71.24 H new ATOM 0 HD12 ILE A 5 1.151 2.512 8.346 1.00 71.24 H new ATOM 0 HD13 ILE A 5 0.402 1.929 9.852 1.00 71.24 H new ATOM 94 N LEU A 6 -2.987 1.471 8.408 1.00 51.32 N ATOM 95 CA LEU A 6 -4.182 2.000 7.809 1.00 61.45 C ATOM 96 C LEU A 6 -3.825 3.119 6.852 1.00 64.11 C ATOM 97 O LEU A 6 -3.007 3.980 7.163 1.00 64.25 O ATOM 98 CB LEU A 6 -5.152 2.496 8.892 1.00 74.55 C ATOM 99 CG LEU A 6 -6.291 1.532 9.265 1.00 32.54 C ATOM 100 CD1 LEU A 6 -5.770 0.197 9.770 1.00 53.51 C ATOM 101 CD2 LEU A 6 -7.189 2.172 10.302 1.00 62.20 C ATOM 0 H LEU A 6 -2.549 2.096 9.085 1.00 51.32 H new ATOM 0 HA LEU A 6 -4.679 1.208 7.249 1.00 61.45 H new ATOM 0 HB2 LEU A 6 -4.579 2.717 9.793 1.00 74.55 H new ATOM 0 HB3 LEU A 6 -5.592 3.435 8.556 1.00 74.55 H new ATOM 0 HG LEU A 6 -6.864 1.332 8.359 1.00 32.54 H new ATOM 0 HD11 LEU A 6 -6.610 -0.450 10.021 1.00 53.51 H new ATOM 0 HD12 LEU A 6 -5.167 -0.275 8.994 1.00 53.51 H new ATOM 0 HD13 LEU A 6 -5.158 0.357 10.658 1.00 53.51 H new ATOM 0 HD21 LEU A 6 -7.993 1.484 10.561 1.00 62.20 H new ATOM 0 HD22 LEU A 6 -6.607 2.403 11.194 1.00 62.20 H new ATOM 0 HD23 LEU A 6 -7.614 3.091 9.898 1.00 62.20 H new ATOM 113 N SER A 7 -4.453 3.080 5.692 1.00 35.03 N ATOM 114 CA SER A 7 -4.286 4.087 4.669 1.00 40.11 C ATOM 115 C SER A 7 -5.247 5.220 4.956 1.00 41.33 C ATOM 116 O SER A 7 -6.453 5.004 5.052 1.00 32.52 O ATOM 117 CB SER A 7 -4.578 3.467 3.306 1.00 1.02 C ATOM 118 OG SER A 7 -3.833 2.275 3.129 1.00 64.04 O ATOM 0 H SER A 7 -5.102 2.337 5.433 1.00 35.03 H new ATOM 0 HA SER A 7 -3.266 4.471 4.665 1.00 40.11 H new ATOM 0 HB2 SER A 7 -5.643 3.253 3.219 1.00 1.02 H new ATOM 0 HB3 SER A 7 -4.330 4.177 2.517 1.00 1.02 H new ATOM 0 HG SER A 7 -3.484 2.240 2.214 1.00 64.04 H new ATOM 124 N ILE A 8 -4.710 6.420 5.112 1.00 64.22 N ATOM 125 CA ILE A 8 -5.475 7.538 5.636 1.00 54.01 C ATOM 126 C ILE A 8 -5.400 8.700 4.649 1.00 23.32 C ATOM 127 O ILE A 8 -4.333 9.302 4.498 1.00 74.13 O ATOM 128 CB ILE A 8 -4.925 7.969 7.037 1.00 73.23 C ATOM 129 CG1 ILE A 8 -5.068 6.833 8.080 1.00 23.44 C ATOM 130 CG2 ILE A 8 -5.593 9.256 7.551 1.00 23.24 C ATOM 131 CD1 ILE A 8 -6.497 6.407 8.372 1.00 41.41 C ATOM 0 H ILE A 8 -3.742 6.644 4.881 1.00 64.22 H new ATOM 0 HA ILE A 8 -6.515 7.239 5.762 1.00 54.01 H new ATOM 0 HB ILE A 8 -3.864 8.177 6.901 1.00 73.23 H new ATOM 0 HG12 ILE A 8 -4.510 5.965 7.729 1.00 23.44 H new ATOM 0 HG13 ILE A 8 -4.603 7.155 9.012 1.00 23.44 H new ATOM 0 HG21 ILE A 8 -5.180 9.516 8.526 1.00 23.24 H new ATOM 0 HG22 ILE A 8 -5.406 10.068 6.849 1.00 23.24 H new ATOM 0 HG23 ILE A 8 -6.667 9.096 7.643 1.00 23.24 H new ATOM 0 HD11 ILE A 8 -6.494 5.608 9.113 1.00 41.41 H new ATOM 0 HD12 ILE A 8 -7.059 7.258 8.758 1.00 41.41 H new ATOM 0 HD13 ILE A 8 -6.965 6.049 7.455 1.00 41.41 H new ATOM 143 N ALA A 9 -6.550 8.975 3.998 1.00 43.22 N ATOM 144 CA ALA A 9 -6.764 10.089 3.039 1.00 21.15 C ATOM 145 C ALA A 9 -5.841 10.066 1.809 1.00 45.24 C ATOM 146 O ALA A 9 -6.263 9.684 0.721 1.00 64.10 O ATOM 147 CB ALA A 9 -6.709 11.444 3.746 1.00 4.53 C ATOM 0 H ALA A 9 -7.388 8.409 4.128 1.00 43.22 H new ATOM 0 HA ALA A 9 -7.767 9.933 2.643 1.00 21.15 H new ATOM 0 HB1 ALA A 9 -6.869 12.240 3.019 1.00 4.53 H new ATOM 0 HB2 ALA A 9 -7.486 11.488 4.509 1.00 4.53 H new ATOM 0 HB3 ALA A 9 -5.733 11.571 4.214 1.00 4.53 H new ATOM 153 N GLY A 10 -4.600 10.478 2.001 1.00 31.33 N ATOM 154 CA GLY A 10 -3.644 10.648 0.925 1.00 54.30 C ATOM 155 C GLY A 10 -2.628 11.702 1.302 1.00 75.44 C ATOM 156 O GLY A 10 -1.465 11.634 0.903 1.00 64.14 O ATOM 0 H GLY A 10 -4.225 10.706 2.922 1.00 31.33 H new ATOM 0 HA2 GLY A 10 -3.142 9.703 0.720 1.00 54.30 H new ATOM 0 HA3 GLY A 10 -4.161 10.939 0.010 1.00 54.30 H new ATOM 160 N LYS A 11 -3.088 12.665 2.104 1.00 73.22 N ATOM 161 CA LYS A 11 -2.242 13.715 2.657 1.00 0.35 C ATOM 162 C LYS A 11 -1.459 13.224 3.913 1.00 65.24 C ATOM 163 O LYS A 11 -0.237 13.354 3.925 1.00 31.14 O ATOM 164 CB LYS A 11 -3.089 14.992 2.934 1.00 74.52 C ATOM 165 CG LYS A 11 -2.294 16.198 3.439 1.00 41.42 C ATOM 166 CD LYS A 11 -2.300 16.300 4.961 1.00 74.02 C ATOM 167 CE LYS A 11 -1.187 17.200 5.464 1.00 2.23 C ATOM 168 NZ LYS A 11 0.159 16.625 5.180 1.00 32.21 N ATOM 0 H LYS A 11 -4.065 12.735 2.387 1.00 73.22 H new ATOM 0 HA LYS A 11 -1.483 13.978 1.920 1.00 0.35 H new ATOM 0 HB2 LYS A 11 -3.604 15.274 2.016 1.00 74.52 H new ATOM 0 HB3 LYS A 11 -3.857 14.748 3.669 1.00 74.52 H new ATOM 0 HG2 LYS A 11 -1.265 16.126 3.086 1.00 41.42 H new ATOM 0 HG3 LYS A 11 -2.713 17.110 3.014 1.00 41.42 H new ATOM 0 HD2 LYS A 11 -3.262 16.687 5.297 1.00 74.02 H new ATOM 0 HD3 LYS A 11 -2.188 15.306 5.393 1.00 74.02 H new ATOM 0 HE2 LYS A 11 -1.271 18.180 4.994 1.00 2.23 H new ATOM 0 HE3 LYS A 11 -1.299 17.351 6.538 1.00 2.23 H new ATOM 0 HZ1 LYS A 11 0.851 17.012 5.853 1.00 32.21 H new ATOM 0 HZ2 LYS A 11 0.122 15.590 5.278 1.00 32.21 H new ATOM 0 HZ3 LYS A 11 0.444 16.871 4.211 1.00 32.21 H new ATOM 182 N PRO A 12 -2.110 12.659 4.997 1.00 63.24 N ATOM 183 CA PRO A 12 -1.386 12.195 6.200 1.00 71.32 C ATOM 184 C PRO A 12 -0.733 10.805 6.069 1.00 24.23 C ATOM 185 O PRO A 12 -0.268 10.250 7.070 1.00 23.52 O ATOM 186 CB PRO A 12 -2.475 12.155 7.283 1.00 52.34 C ATOM 187 CG PRO A 12 -3.694 12.737 6.665 1.00 15.51 C ATOM 188 CD PRO A 12 -3.558 12.485 5.204 1.00 22.12 C ATOM 0 HA PRO A 12 -0.548 12.859 6.409 1.00 71.32 H new ATOM 0 HB2 PRO A 12 -2.657 11.133 7.615 1.00 52.34 H new ATOM 0 HB3 PRO A 12 -2.173 12.726 8.161 1.00 52.34 H new ATOM 0 HG2 PRO A 12 -4.596 12.271 7.061 1.00 15.51 H new ATOM 0 HG3 PRO A 12 -3.769 13.804 6.874 1.00 15.51 H new ATOM 0 HD2 PRO A 12 -3.892 11.484 4.930 1.00 22.12 H new ATOM 0 HD3 PRO A 12 -4.142 13.190 4.612 1.00 22.12 H new ATOM 196 N GLY A 13 -0.673 10.278 4.837 1.00 62.31 N ATOM 197 CA GLY A 13 -0.060 8.988 4.566 1.00 13.45 C ATOM 198 C GLY A 13 -0.736 7.804 5.225 1.00 34.24 C ATOM 199 O GLY A 13 -1.839 7.410 4.846 1.00 42.22 O ATOM 0 H GLY A 13 -1.049 10.740 4.009 1.00 62.31 H new ATOM 0 HA2 GLY A 13 -0.050 8.827 3.488 1.00 13.45 H new ATOM 0 HA3 GLY A 13 0.979 9.021 4.893 1.00 13.45 H new ATOM 203 N LEU A 14 -0.042 7.240 6.209 1.00 25.33 N ATOM 204 CA LEU A 14 -0.442 5.992 6.848 1.00 61.44 C ATOM 205 C LEU A 14 -0.282 6.091 8.359 1.00 2.30 C ATOM 206 O LEU A 14 0.591 6.813 8.851 1.00 50.05 O ATOM 207 CB LEU A 14 0.428 4.841 6.338 1.00 61.13 C ATOM 208 CG LEU A 14 0.383 4.589 4.832 1.00 1.22 C ATOM 209 CD1 LEU A 14 1.603 3.831 4.400 1.00 12.44 C ATOM 210 CD2 LEU A 14 -0.856 3.818 4.442 1.00 42.34 C ATOM 0 H LEU A 14 0.818 7.638 6.587 1.00 25.33 H new ATOM 0 HA LEU A 14 -1.488 5.806 6.604 1.00 61.44 H new ATOM 0 HB2 LEU A 14 1.461 5.038 6.623 1.00 61.13 H new ATOM 0 HB3 LEU A 14 0.125 3.927 6.849 1.00 61.13 H new ATOM 0 HG LEU A 14 0.357 5.557 4.332 1.00 1.22 H new ATOM 0 HD11 LEU A 14 1.561 3.656 3.325 1.00 12.44 H new ATOM 0 HD12 LEU A 14 2.495 4.410 4.639 1.00 12.44 H new ATOM 0 HD13 LEU A 14 1.641 2.875 4.922 1.00 12.44 H new ATOM 0 HD21 LEU A 14 -0.859 3.655 3.364 1.00 42.34 H new ATOM 0 HD22 LEU A 14 -0.862 2.856 4.955 1.00 42.34 H new ATOM 0 HD23 LEU A 14 -1.742 4.386 4.725 1.00 42.34 H new ATOM 222 N TYR A 15 -1.121 5.361 9.087 1.00 5.33 N ATOM 223 CA TYR A 15 -1.084 5.350 10.549 1.00 31.05 C ATOM 224 C TYR A 15 -1.260 3.934 11.097 1.00 34.52 C ATOM 225 O TYR A 15 -1.898 3.099 10.470 1.00 63.05 O ATOM 226 CB TYR A 15 -2.173 6.258 11.119 1.00 2.44 C ATOM 227 CG TYR A 15 -1.906 7.740 10.975 1.00 30.43 C ATOM 228 CD1 TYR A 15 -0.985 8.377 11.787 1.00 13.33 C ATOM 229 CD2 TYR A 15 -2.580 8.501 10.035 1.00 63.43 C ATOM 230 CE1 TYR A 15 -0.737 9.728 11.662 1.00 42.43 C ATOM 231 CE2 TYR A 15 -2.339 9.848 9.905 1.00 12.45 C ATOM 232 CZ TYR A 15 -1.415 10.458 10.721 1.00 44.35 C ATOM 233 OH TYR A 15 -1.161 11.804 10.589 1.00 52.05 O ATOM 0 H TYR A 15 -1.843 4.763 8.685 1.00 5.33 H new ATOM 0 HA TYR A 15 -0.107 5.722 10.856 1.00 31.05 H new ATOM 0 HB2 TYR A 15 -3.116 6.024 10.625 1.00 2.44 H new ATOM 0 HB3 TYR A 15 -2.301 6.028 12.177 1.00 2.44 H new ATOM 0 HD1 TYR A 15 -0.451 7.806 12.532 1.00 13.33 H new ATOM 0 HD2 TYR A 15 -3.308 8.028 9.393 1.00 63.43 H new ATOM 0 HE1 TYR A 15 -0.012 10.208 12.303 1.00 42.43 H new ATOM 0 HE2 TYR A 15 -2.873 10.425 9.165 1.00 12.45 H new ATOM 0 HH TYR A 15 -0.231 11.987 10.838 1.00 52.05 H new ATOM 243 N LYS A 16 -0.695 3.673 12.271 1.00 3.33 N ATOM 244 CA LYS A 16 -0.745 2.346 12.889 1.00 53.42 C ATOM 245 C LYS A 16 -1.970 2.219 13.792 1.00 44.03 C ATOM 246 O LYS A 16 -2.134 2.993 14.721 1.00 31.22 O ATOM 247 CB LYS A 16 0.522 2.113 13.711 1.00 33.43 C ATOM 248 CG LYS A 16 1.815 2.187 12.909 1.00 13.32 C ATOM 249 CD LYS A 16 3.015 2.503 13.795 1.00 60.43 C ATOM 250 CE LYS A 16 3.324 1.384 14.780 1.00 3.11 C ATOM 251 NZ LYS A 16 4.390 1.774 15.735 1.00 4.44 N ATOM 0 H LYS A 16 -0.191 4.369 12.821 1.00 3.33 H new ATOM 0 HA LYS A 16 -0.813 1.598 12.099 1.00 53.42 H new ATOM 0 HB2 LYS A 16 0.562 2.852 14.511 1.00 33.43 H new ATOM 0 HB3 LYS A 16 0.458 1.133 14.185 1.00 33.43 H new ATOM 0 HG2 LYS A 16 1.980 1.238 12.398 1.00 13.32 H new ATOM 0 HG3 LYS A 16 1.721 2.952 12.138 1.00 13.32 H new ATOM 0 HD2 LYS A 16 3.888 2.682 13.168 1.00 60.43 H new ATOM 0 HD3 LYS A 16 2.824 3.424 14.345 1.00 60.43 H new ATOM 0 HE2 LYS A 16 2.420 1.123 15.330 1.00 3.11 H new ATOM 0 HE3 LYS A 16 3.633 0.493 14.234 1.00 3.11 H new ATOM 0 HZ1 LYS A 16 4.775 0.923 16.192 1.00 4.44 H new ATOM 0 HZ2 LYS A 16 5.150 2.267 15.224 1.00 4.44 H new ATOM 0 HZ3 LYS A 16 3.993 2.406 16.459 1.00 4.44 H new ATOM 265 N LEU A 17 -2.801 1.218 13.535 1.00 10.42 N ATOM 266 CA LEU A 17 -4.061 1.069 14.251 1.00 71.12 C ATOM 267 C LEU A 17 -3.874 0.272 15.532 1.00 31.54 C ATOM 268 O LEU A 17 -3.364 -0.849 15.507 1.00 54.11 O ATOM 269 CB LEU A 17 -5.111 0.372 13.382 1.00 50.40 C ATOM 270 CG LEU A 17 -6.519 0.317 13.992 1.00 53.01 C ATOM 271 CD1 LEU A 17 -7.097 1.708 14.096 1.00 73.33 C ATOM 272 CD2 LEU A 17 -7.439 -0.565 13.175 1.00 21.22 C ATOM 0 H LEU A 17 -2.625 0.497 12.836 1.00 10.42 H new ATOM 0 HA LEU A 17 -4.406 2.073 14.499 1.00 71.12 H new ATOM 0 HB2 LEU A 17 -5.166 0.885 12.422 1.00 50.40 H new ATOM 0 HB3 LEU A 17 -4.778 -0.646 13.181 1.00 50.40 H new ATOM 0 HG LEU A 17 -6.434 -0.113 14.990 1.00 53.01 H new ATOM 0 HD11 LEU A 17 -8.096 1.656 14.530 1.00 73.33 H new ATOM 0 HD12 LEU A 17 -6.457 2.321 14.731 1.00 73.33 H new ATOM 0 HD13 LEU A 17 -7.156 2.153 13.103 1.00 73.33 H new ATOM 0 HD21 LEU A 17 -8.428 -0.583 13.633 1.00 21.22 H new ATOM 0 HD22 LEU A 17 -7.516 -0.171 12.162 1.00 21.22 H new ATOM 0 HD23 LEU A 17 -7.037 -1.577 13.141 1.00 21.22 H new ATOM 284 N ILE A 18 -4.292 0.861 16.641 1.00 33.03 N ATOM 285 CA ILE A 18 -4.297 0.171 17.921 1.00 51.41 C ATOM 286 C ILE A 18 -5.691 -0.404 18.172 1.00 25.13 C ATOM 287 O ILE A 18 -5.856 -1.615 18.323 1.00 51.41 O ATOM 288 CB ILE A 18 -3.882 1.103 19.104 1.00 51.42 C ATOM 289 CG1 ILE A 18 -2.543 1.788 18.819 1.00 32.04 C ATOM 290 CG2 ILE A 18 -3.784 0.320 20.413 1.00 35.21 C ATOM 291 CD1 ILE A 18 -2.657 3.237 18.400 1.00 64.34 C ATOM 0 H ILE A 18 -4.634 1.821 16.680 1.00 33.03 H new ATOM 0 HA ILE A 18 -3.558 -0.628 17.874 1.00 51.41 H new ATOM 0 HB ILE A 18 -4.656 1.864 19.204 1.00 51.42 H new ATOM 0 HG12 ILE A 18 -1.922 1.729 19.713 1.00 32.04 H new ATOM 0 HG13 ILE A 18 -2.026 1.235 18.034 1.00 32.04 H new ATOM 0 HG21 ILE A 18 -3.493 0.994 21.219 1.00 35.21 H new ATOM 0 HG22 ILE A 18 -4.752 -0.126 20.644 1.00 35.21 H new ATOM 0 HG23 ILE A 18 -3.037 -0.467 20.311 1.00 35.21 H new ATOM 0 HD11 ILE A 18 -1.662 3.643 18.219 1.00 64.34 H new ATOM 0 HD12 ILE A 18 -3.249 3.306 17.487 1.00 64.34 H new ATOM 0 HD13 ILE A 18 -3.143 3.808 19.192 1.00 64.34 H new ATOM 303 N SER A 19 -6.690 0.480 18.173 1.00 73.31 N ATOM 304 CA SER A 19 -8.074 0.108 18.456 1.00 51.33 C ATOM 305 C SER A 19 -9.017 0.876 17.544 1.00 33.15 C ATOM 306 O SER A 19 -8.787 2.051 17.277 1.00 42.25 O ATOM 307 CB SER A 19 -8.418 0.405 19.923 1.00 2.31 C ATOM 308 OG SER A 19 -7.612 -0.356 20.809 1.00 51.03 O ATOM 0 H SER A 19 -6.561 1.473 17.978 1.00 73.31 H new ATOM 0 HA SER A 19 -8.190 -0.961 18.275 1.00 51.33 H new ATOM 0 HB2 SER A 19 -8.278 1.467 20.123 1.00 2.31 H new ATOM 0 HB3 SER A 19 -9.470 0.183 20.104 1.00 2.31 H new ATOM 0 HG SER A 19 -7.853 -0.144 21.735 1.00 51.03 H new ATOM 314 N GLN A 20 -10.061 0.216 17.058 1.00 51.32 N ATOM 315 CA GLN A 20 -11.052 0.878 16.221 1.00 51.03 C ATOM 316 C GLN A 20 -12.373 1.021 16.975 1.00 53.12 C ATOM 317 O GLN A 20 -12.989 0.024 17.352 1.00 72.30 O ATOM 318 CB GLN A 20 -11.258 0.115 14.907 1.00 22.15 C ATOM 319 CG GLN A 20 -12.157 0.846 13.914 1.00 14.43 C ATOM 320 CD GLN A 20 -12.325 0.102 12.607 1.00 74.21 C ATOM 321 OE1 GLN A 20 -13.246 -0.695 12.448 1.00 73.32 O ATOM 322 NE2 GLN A 20 -11.437 0.360 11.662 1.00 61.35 N ATOM 0 H GLN A 20 -10.242 -0.773 17.228 1.00 51.32 H new ATOM 0 HA GLN A 20 -10.683 1.874 15.976 1.00 51.03 H new ATOM 0 HB2 GLN A 20 -10.288 -0.063 14.444 1.00 22.15 H new ATOM 0 HB3 GLN A 20 -11.691 -0.861 15.127 1.00 22.15 H new ATOM 0 HG2 GLN A 20 -13.137 1.001 14.366 1.00 14.43 H new ATOM 0 HG3 GLN A 20 -11.739 1.832 13.713 1.00 14.43 H new ATOM 0 HE21 GLN A 20 -10.687 1.029 11.836 1.00 61.35 H new ATOM 0 HE22 GLN A 20 -11.502 -0.110 10.759 1.00 61.35 H new ATOM 331 N GLY A 21 -12.778 2.268 17.210 1.00 64.04 N ATOM 332 CA GLY A 21 -14.026 2.537 17.900 1.00 65.22 C ATOM 333 C GLY A 21 -15.149 2.932 16.963 1.00 24.12 C ATOM 334 O GLY A 21 -15.156 2.555 15.788 1.00 42.10 O ATOM 0 H GLY A 21 -12.259 3.101 16.932 1.00 64.04 H new ATOM 0 HA2 GLY A 21 -14.323 1.650 18.460 1.00 65.22 H new ATOM 0 HA3 GLY A 21 -13.869 3.335 18.626 1.00 65.22 H new ATOM 338 N LYS A 22 -16.104 3.688 17.494 1.00 54.44 N ATOM 339 CA LYS A 22 -17.239 4.175 16.712 1.00 30.45 C ATOM 340 C LYS A 22 -16.941 5.574 16.204 1.00 30.41 C ATOM 341 O LYS A 22 -16.458 6.408 16.977 1.00 4.53 O ATOM 342 CB LYS A 22 -18.520 4.191 17.552 1.00 75.42 C ATOM 343 CG LYS A 22 -18.963 2.821 18.023 1.00 54.13 C ATOM 344 CD LYS A 22 -20.212 2.902 18.883 1.00 74.52 C ATOM 345 CE LYS A 22 -20.636 1.528 19.377 1.00 34.10 C ATOM 346 NZ LYS A 22 -19.614 0.914 20.261 1.00 43.43 N ATOM 0 H LYS A 22 -16.115 3.980 18.471 1.00 54.44 H new ATOM 0 HA LYS A 22 -17.393 3.501 15.869 1.00 30.45 H new ATOM 0 HB2 LYS A 22 -18.365 4.830 18.421 1.00 75.42 H new ATOM 0 HB3 LYS A 22 -19.322 4.639 16.965 1.00 75.42 H new ATOM 0 HG2 LYS A 22 -19.156 2.184 17.160 1.00 54.13 H new ATOM 0 HG3 LYS A 22 -18.159 2.354 18.591 1.00 54.13 H new ATOM 0 HD2 LYS A 22 -20.027 3.556 19.735 1.00 74.52 H new ATOM 0 HD3 LYS A 22 -21.023 3.350 18.308 1.00 74.52 H new ATOM 0 HE2 LYS A 22 -21.579 1.612 19.917 1.00 34.10 H new ATOM 0 HE3 LYS A 22 -20.815 0.875 18.523 1.00 34.10 H new ATOM 0 HZ1 LYS A 22 -20.030 0.102 20.761 1.00 43.43 H new ATOM 0 HZ2 LYS A 22 -18.808 0.592 19.688 1.00 43.43 H new ATOM 0 HZ3 LYS A 22 -19.287 1.617 20.955 1.00 43.43 H new ATOM 360 N ASN A 23 -17.218 5.792 14.897 1.00 72.12 N ATOM 361 CA ASN A 23 -16.947 7.053 14.137 1.00 15.42 C ATOM 362 C ASN A 23 -15.453 7.221 13.831 1.00 21.44 C ATOM 363 O ASN A 23 -15.055 7.378 12.682 1.00 74.21 O ATOM 364 CB ASN A 23 -17.469 8.315 14.859 1.00 55.35 C ATOM 365 CG ASN A 23 -17.532 9.529 13.949 1.00 73.14 C ATOM 366 OD1 ASN A 23 -16.573 10.284 13.830 1.00 4.35 O ATOM 367 ND2 ASN A 23 -18.666 9.725 13.303 1.00 32.40 N ATOM 0 H ASN A 23 -17.651 5.075 14.315 1.00 72.12 H new ATOM 0 HA ASN A 23 -17.496 6.951 13.201 1.00 15.42 H new ATOM 0 HB2 ASN A 23 -18.463 8.114 15.259 1.00 55.35 H new ATOM 0 HB3 ASN A 23 -16.822 8.536 15.708 1.00 55.35 H new ATOM 0 HD21 ASN A 23 -18.766 10.526 12.680 1.00 32.40 H new ATOM 0 HD22 ASN A 23 -19.442 9.075 13.427 1.00 32.40 H new ATOM 374 N MET A 24 -14.662 7.203 14.882 1.00 74.34 N ATOM 375 CA MET A 24 -13.234 7.402 14.827 1.00 53.34 C ATOM 376 C MET A 24 -12.516 6.218 15.443 1.00 34.35 C ATOM 377 O MET A 24 -13.067 5.510 16.288 1.00 13.41 O ATOM 378 CB MET A 24 -12.839 8.670 15.588 1.00 32.22 C ATOM 379 CG MET A 24 -13.647 8.917 16.855 1.00 21.43 C ATOM 380 SD MET A 24 -12.779 9.949 18.044 1.00 5.12 S ATOM 381 CE MET A 24 -11.598 8.755 18.642 1.00 74.53 C ATOM 0 H MET A 24 -15.009 7.044 15.828 1.00 74.34 H new ATOM 0 HA MET A 24 -12.947 7.503 13.780 1.00 53.34 H new ATOM 0 HB2 MET A 24 -11.783 8.608 15.851 1.00 32.22 H new ATOM 0 HB3 MET A 24 -12.953 9.528 14.925 1.00 32.22 H new ATOM 0 HG2 MET A 24 -14.592 9.391 16.591 1.00 21.43 H new ATOM 0 HG3 MET A 24 -13.889 7.961 17.319 1.00 21.43 H new ATOM 0 HE1 MET A 24 -11.279 9.030 19.647 1.00 74.53 H new ATOM 0 HE2 MET A 24 -12.059 7.767 18.665 1.00 74.53 H new ATOM 0 HE3 MET A 24 -10.733 8.736 17.980 1.00 74.53 H new ATOM 391 N LEU A 25 -11.288 6.018 15.025 1.00 21.22 N ATOM 392 CA LEU A 25 -10.423 5.044 15.643 1.00 24.23 C ATOM 393 C LEU A 25 -9.210 5.723 16.256 1.00 23.12 C ATOM 394 O LEU A 25 -9.081 6.953 16.225 1.00 52.01 O ATOM 395 CB LEU A 25 -10.002 3.868 14.700 1.00 25.42 C ATOM 396 CG LEU A 25 -9.711 4.088 13.187 1.00 1.01 C ATOM 397 CD1 LEU A 25 -10.992 4.232 12.403 1.00 21.15 C ATOM 398 CD2 LEU A 25 -8.775 5.254 12.916 1.00 34.03 C ATOM 0 H LEU A 25 -10.862 6.525 14.249 1.00 21.22 H new ATOM 0 HA LEU A 25 -11.011 4.577 16.433 1.00 24.23 H new ATOM 0 HB2 LEU A 25 -9.104 3.425 15.132 1.00 25.42 H new ATOM 0 HB3 LEU A 25 -10.790 3.117 14.763 1.00 25.42 H new ATOM 0 HG LEU A 25 -9.190 3.193 12.847 1.00 1.01 H new ATOM 0 HD11 LEU A 25 -10.758 4.385 11.349 1.00 21.15 H new ATOM 0 HD12 LEU A 25 -11.591 3.328 12.515 1.00 21.15 H new ATOM 0 HD13 LEU A 25 -11.554 5.088 12.778 1.00 21.15 H new ATOM 0 HD21 LEU A 25 -8.615 5.350 11.842 1.00 34.03 H new ATOM 0 HD22 LEU A 25 -9.217 6.173 13.301 1.00 34.03 H new ATOM 0 HD23 LEU A 25 -7.820 5.076 13.410 1.00 34.03 H new ATOM 410 N ILE A 26 -8.322 4.909 16.788 1.00 43.24 N ATOM 411 CA ILE A 26 -7.155 5.371 17.498 1.00 74.22 C ATOM 412 C ILE A 26 -5.930 4.853 16.761 1.00 24.44 C ATOM 413 O ILE A 26 -5.662 3.643 16.738 1.00 64.34 O ATOM 414 CB ILE A 26 -7.167 4.874 18.976 1.00 61.14 C ATOM 415 CG1 ILE A 26 -8.353 5.479 19.761 1.00 42.12 C ATOM 416 CG2 ILE A 26 -5.844 5.165 19.696 1.00 31.43 C ATOM 417 CD1 ILE A 26 -8.347 7.001 19.863 1.00 43.03 C ATOM 0 H ILE A 26 -8.395 3.893 16.737 1.00 43.24 H new ATOM 0 HA ILE A 26 -7.142 6.460 17.531 1.00 74.22 H new ATOM 0 HB ILE A 26 -7.291 3.792 18.941 1.00 61.14 H new ATOM 0 HG12 ILE A 26 -9.282 5.165 19.286 1.00 42.12 H new ATOM 0 HG13 ILE A 26 -8.354 5.062 20.768 1.00 42.12 H new ATOM 0 HG21 ILE A 26 -5.900 4.801 20.722 1.00 31.43 H new ATOM 0 HG22 ILE A 26 -5.029 4.662 19.176 1.00 31.43 H new ATOM 0 HG23 ILE A 26 -5.662 6.240 19.702 1.00 31.43 H new ATOM 0 HD11 ILE A 26 -9.217 7.331 20.431 1.00 43.03 H new ATOM 0 HD12 ILE A 26 -7.438 7.328 20.368 1.00 43.03 H new ATOM 0 HD13 ILE A 26 -8.381 7.433 18.863 1.00 43.03 H new ATOM 429 N VAL A 27 -5.236 5.763 16.114 1.00 65.22 N ATOM 430 CA VAL A 27 -4.032 5.432 15.375 1.00 3.13 C ATOM 431 C VAL A 27 -2.848 6.197 15.937 1.00 11.43 C ATOM 432 O VAL A 27 -3.025 7.218 16.583 1.00 34.12 O ATOM 433 CB VAL A 27 -4.167 5.724 13.858 1.00 44.40 C ATOM 434 CG1 VAL A 27 -5.066 4.704 13.186 1.00 12.04 C ATOM 435 CG2 VAL A 27 -4.693 7.132 13.602 1.00 10.23 C ATOM 0 H VAL A 27 -5.487 6.751 16.084 1.00 65.22 H new ATOM 0 HA VAL A 27 -3.873 4.360 15.490 1.00 3.13 H new ATOM 0 HB VAL A 27 -3.169 5.650 13.427 1.00 44.40 H new ATOM 0 HG11 VAL A 27 -5.144 4.932 12.123 1.00 12.04 H new ATOM 0 HG12 VAL A 27 -4.644 3.707 13.314 1.00 12.04 H new ATOM 0 HG13 VAL A 27 -6.057 4.739 13.638 1.00 12.04 H new ATOM 0 HG21 VAL A 27 -4.774 7.300 12.528 1.00 10.23 H new ATOM 0 HG22 VAL A 27 -5.675 7.243 14.062 1.00 10.23 H new ATOM 0 HG23 VAL A 27 -4.006 7.861 14.033 1.00 10.23 H new ATOM 445 N GLU A 28 -1.649 5.689 15.726 1.00 30.23 N ATOM 446 CA GLU A 28 -0.449 6.401 16.114 1.00 0.52 C ATOM 447 C GLU A 28 0.385 6.702 14.880 1.00 71.32 C ATOM 448 O GLU A 28 0.455 5.888 13.948 1.00 54.34 O ATOM 449 CB GLU A 28 0.371 5.618 17.156 1.00 63.21 C ATOM 450 CG GLU A 28 0.819 4.237 16.696 1.00 62.33 C ATOM 451 CD GLU A 28 1.667 3.523 17.718 1.00 34.33 C ATOM 452 OE1 GLU A 28 1.102 2.969 18.672 1.00 61.34 O ATOM 453 OE2 GLU A 28 2.905 3.498 17.561 1.00 22.42 O ATOM 0 H GLU A 28 -1.481 4.784 15.287 1.00 30.23 H new ATOM 0 HA GLU A 28 -0.744 7.338 16.585 1.00 0.52 H new ATOM 0 HB2 GLU A 28 1.252 6.203 17.421 1.00 63.21 H new ATOM 0 HB3 GLU A 28 -0.225 5.510 18.063 1.00 63.21 H new ATOM 0 HG2 GLU A 28 -0.059 3.631 16.474 1.00 62.33 H new ATOM 0 HG3 GLU A 28 1.383 4.334 15.768 1.00 62.33 H new ATOM 460 N THR A 29 0.915 7.919 14.843 1.00 72.43 N ATOM 461 CA THR A 29 1.847 8.345 13.809 1.00 23.44 C ATOM 462 C THR A 29 3.065 7.426 13.747 1.00 23.03 C ATOM 463 O THR A 29 3.728 7.165 14.745 1.00 1.03 O ATOM 464 CB THR A 29 2.295 9.802 14.026 1.00 13.54 C ATOM 465 OG1 THR A 29 1.229 10.545 14.621 1.00 64.52 O ATOM 466 CG2 THR A 29 2.673 10.454 12.708 1.00 41.52 C ATOM 0 H THR A 29 0.708 8.641 15.534 1.00 72.43 H new ATOM 0 HA THR A 29 1.320 8.284 12.857 1.00 23.44 H new ATOM 0 HB THR A 29 3.166 9.799 14.681 1.00 13.54 H new ATOM 0 HG1 THR A 29 1.287 11.482 14.340 1.00 64.52 H new ATOM 0 HG21 THR A 29 2.986 11.483 12.887 1.00 41.52 H new ATOM 0 HG22 THR A 29 3.492 9.900 12.250 1.00 41.52 H new ATOM 0 HG23 THR A 29 1.812 10.448 12.039 1.00 41.52 H new ATOM 474 N VAL A 30 3.272 6.884 12.562 1.00 5.25 N ATOM 475 CA VAL A 30 4.373 5.968 12.287 1.00 63.10 C ATOM 476 C VAL A 30 5.754 6.679 12.277 1.00 2.53 C ATOM 477 O VAL A 30 6.778 6.074 12.618 1.00 3.41 O ATOM 478 CB VAL A 30 4.091 5.187 10.966 1.00 4.23 C ATOM 479 CG1 VAL A 30 4.004 6.110 9.761 1.00 14.30 C ATOM 480 CG2 VAL A 30 5.114 4.089 10.737 1.00 75.42 C ATOM 0 H VAL A 30 2.678 7.066 11.753 1.00 5.25 H new ATOM 0 HA VAL A 30 4.430 5.249 13.104 1.00 63.10 H new ATOM 0 HB VAL A 30 3.115 4.717 11.084 1.00 4.23 H new ATOM 0 HG11 VAL A 30 3.807 5.521 8.865 1.00 14.30 H new ATOM 0 HG12 VAL A 30 3.196 6.827 9.909 1.00 14.30 H new ATOM 0 HG13 VAL A 30 4.947 6.645 9.643 1.00 14.30 H new ATOM 0 HG21 VAL A 30 4.885 3.567 9.808 1.00 75.42 H new ATOM 0 HG22 VAL A 30 6.110 4.527 10.671 1.00 75.42 H new ATOM 0 HG23 VAL A 30 5.082 3.383 11.567 1.00 75.42 H new ATOM 490 N ASP A 31 5.763 7.967 11.952 1.00 3.22 N ATOM 491 CA ASP A 31 6.999 8.734 11.835 1.00 33.34 C ATOM 492 C ASP A 31 6.905 10.067 12.572 1.00 70.22 C ATOM 493 O ASP A 31 5.848 10.407 13.099 1.00 52.12 O ATOM 494 CB ASP A 31 7.322 8.995 10.353 1.00 30.55 C ATOM 495 CG ASP A 31 6.291 9.864 9.644 1.00 35.23 C ATOM 496 OD1 ASP A 31 5.215 9.355 9.265 1.00 72.24 O ATOM 497 OD2 ASP A 31 6.556 11.069 9.478 1.00 2.31 O ATOM 0 H ASP A 31 4.919 8.507 11.763 1.00 3.22 H new ATOM 0 HA ASP A 31 7.795 8.145 12.290 1.00 33.34 H new ATOM 0 HB2 ASP A 31 8.298 9.475 10.282 1.00 30.55 H new ATOM 0 HB3 ASP A 31 7.398 8.040 9.833 1.00 30.55 H new ATOM 502 N ALA A 32 8.050 10.776 12.604 1.00 52.03 N ATOM 503 CA ALA A 32 8.190 12.176 13.052 1.00 23.42 C ATOM 504 C ALA A 32 7.780 12.405 14.511 1.00 2.05 C ATOM 505 O ALA A 32 8.609 12.290 15.414 1.00 11.21 O ATOM 506 CB ALA A 32 7.455 13.130 12.107 1.00 74.23 C ATOM 0 H ALA A 32 8.939 10.373 12.307 1.00 52.03 H new ATOM 0 HA ALA A 32 9.256 12.398 13.013 1.00 23.42 H new ATOM 0 HB1 ALA A 32 7.574 14.155 12.460 1.00 74.23 H new ATOM 0 HB2 ALA A 32 7.872 13.041 11.104 1.00 74.23 H new ATOM 0 HB3 ALA A 32 6.396 12.875 12.084 1.00 74.23 H new ATOM 512 N ALA A 33 6.500 12.695 14.735 1.00 43.53 N ATOM 513 CA ALA A 33 5.987 13.017 16.055 1.00 25.03 C ATOM 514 C ALA A 33 5.671 11.760 16.842 1.00 65.14 C ATOM 515 O ALA A 33 6.084 11.645 17.996 1.00 15.52 O ATOM 516 CB ALA A 33 4.740 13.867 15.929 1.00 30.04 C ATOM 0 H ALA A 33 5.792 12.712 14.001 1.00 43.53 H new ATOM 0 HA ALA A 33 6.757 13.572 16.591 1.00 25.03 H new ATOM 0 HB1 ALA A 33 4.360 14.105 16.923 1.00 30.04 H new ATOM 0 HB2 ALA A 33 4.981 14.790 15.402 1.00 30.04 H new ATOM 0 HB3 ALA A 33 3.980 13.318 15.372 1.00 30.04 H new ATOM 522 N LYS A 34 4.933 10.834 16.190 1.00 43.34 N ATOM 523 CA LYS A 34 4.485 9.563 16.787 1.00 4.02 C ATOM 524 C LYS A 34 3.518 9.823 17.948 1.00 34.25 C ATOM 525 O LYS A 34 3.861 9.675 19.124 1.00 52.02 O ATOM 526 CB LYS A 34 5.675 8.665 17.190 1.00 61.42 C ATOM 527 CG LYS A 34 6.528 8.248 16.002 1.00 62.32 C ATOM 528 CD LYS A 34 7.829 7.597 16.422 1.00 34.41 C ATOM 529 CE LYS A 34 8.658 7.221 15.208 1.00 73.43 C ATOM 530 NZ LYS A 34 10.043 6.849 15.577 1.00 53.44 N ATOM 0 H LYS A 34 4.630 10.953 15.223 1.00 43.34 H new ATOM 0 HA LYS A 34 3.936 9.006 16.028 1.00 4.02 H new ATOM 0 HB2 LYS A 34 6.298 9.196 17.910 1.00 61.42 H new ATOM 0 HB3 LYS A 34 5.298 7.774 17.691 1.00 61.42 H new ATOM 0 HG2 LYS A 34 5.963 7.555 15.379 1.00 62.32 H new ATOM 0 HG3 LYS A 34 6.745 9.123 15.389 1.00 62.32 H new ATOM 0 HD2 LYS A 34 8.394 8.279 17.057 1.00 34.41 H new ATOM 0 HD3 LYS A 34 7.621 6.707 17.016 1.00 34.41 H new ATOM 0 HE2 LYS A 34 8.184 6.387 14.689 1.00 73.43 H new ATOM 0 HE3 LYS A 34 8.681 8.059 14.511 1.00 73.43 H new ATOM 0 HZ1 LYS A 34 10.576 6.599 14.719 1.00 53.44 H new ATOM 0 HZ2 LYS A 34 10.504 7.653 16.049 1.00 53.44 H new ATOM 0 HZ3 LYS A 34 10.023 6.033 16.222 1.00 53.44 H new ATOM 544 N LYS A 35 2.313 10.262 17.581 1.00 61.52 N ATOM 545 CA LYS A 35 1.281 10.650 18.538 1.00 24.14 C ATOM 546 C LYS A 35 -0.007 9.879 18.262 1.00 61.21 C ATOM 547 O LYS A 35 -0.195 9.353 17.173 1.00 32.31 O ATOM 548 CB LYS A 35 1.009 12.166 18.453 1.00 70.43 C ATOM 549 CG LYS A 35 0.665 12.665 17.052 1.00 33.23 C ATOM 550 CD LYS A 35 0.304 14.139 17.036 1.00 24.12 C ATOM 551 CE LYS A 35 -1.021 14.399 17.740 1.00 75.15 C ATOM 552 NZ LYS A 35 -1.376 15.835 17.725 1.00 42.24 N ATOM 0 H LYS A 35 2.026 10.358 16.607 1.00 61.52 H new ATOM 0 HA LYS A 35 1.634 10.412 19.541 1.00 24.14 H new ATOM 0 HB2 LYS A 35 0.188 12.414 19.126 1.00 70.43 H new ATOM 0 HB3 LYS A 35 1.888 12.702 18.811 1.00 70.43 H new ATOM 0 HG2 LYS A 35 1.514 12.494 16.390 1.00 33.23 H new ATOM 0 HG3 LYS A 35 -0.169 12.085 16.657 1.00 33.23 H new ATOM 0 HD2 LYS A 35 1.093 14.713 17.521 1.00 24.12 H new ATOM 0 HD3 LYS A 35 0.244 14.488 16.005 1.00 24.12 H new ATOM 0 HE2 LYS A 35 -1.810 13.824 17.255 1.00 75.15 H new ATOM 0 HE3 LYS A 35 -0.960 14.050 18.771 1.00 75.15 H new ATOM 0 HZ1 LYS A 35 -2.284 15.973 18.213 1.00 42.24 H new ATOM 0 HZ2 LYS A 35 -0.635 16.381 18.210 1.00 42.24 H new ATOM 0 HZ3 LYS A 35 -1.459 16.162 16.741 1.00 42.24 H new ATOM 566 N ARG A 36 -0.897 9.828 19.244 1.00 73.11 N ATOM 567 CA ARG A 36 -2.169 9.133 19.079 1.00 60.14 C ATOM 568 C ARG A 36 -3.212 10.100 18.538 1.00 52.05 C ATOM 569 O ARG A 36 -3.673 11.006 19.233 1.00 52.13 O ATOM 570 CB ARG A 36 -2.654 8.460 20.381 1.00 2.13 C ATOM 571 CG ARG A 36 -1.792 7.283 20.852 1.00 31.24 C ATOM 572 CD ARG A 36 -0.546 7.752 21.593 1.00 40.11 C ATOM 573 NE ARG A 36 0.389 6.673 21.891 1.00 11.31 N ATOM 574 CZ ARG A 36 1.489 6.824 22.629 1.00 4.11 C ATOM 575 NH1 ARG A 36 1.763 7.989 23.205 1.00 15.01 N ATOM 576 NH2 ARG A 36 2.310 5.797 22.804 1.00 1.40 N ATOM 0 H ARG A 36 -0.764 10.257 20.160 1.00 73.11 H new ATOM 0 HA ARG A 36 -2.017 8.326 18.362 1.00 60.14 H new ATOM 0 HB2 ARG A 36 -2.685 9.210 21.172 1.00 2.13 H new ATOM 0 HB3 ARG A 36 -3.675 8.109 20.234 1.00 2.13 H new ATOM 0 HG2 ARG A 36 -2.382 6.639 21.505 1.00 31.24 H new ATOM 0 HG3 ARG A 36 -1.498 6.681 19.992 1.00 31.24 H new ATOM 0 HD2 ARG A 36 -0.038 8.508 20.994 1.00 40.11 H new ATOM 0 HD3 ARG A 36 -0.845 8.232 22.525 1.00 40.11 H new ATOM 0 HE ARG A 36 0.189 5.747 21.512 1.00 11.31 H new ATOM 0 HH11 ARG A 36 1.129 8.779 23.085 1.00 15.01 H new ATOM 0 HH12 ARG A 36 2.607 8.094 23.768 1.00 15.01 H new ATOM 0 HH21 ARG A 36 2.099 4.896 22.375 1.00 1.40 H new ATOM 0 HH22 ARG A 36 3.153 5.908 23.368 1.00 1.40 H new ATOM 590 N VAL A 37 -3.536 9.911 17.273 1.00 43.35 N ATOM 591 CA VAL A 37 -4.406 10.805 16.535 1.00 11.43 C ATOM 592 C VAL A 37 -5.807 10.189 16.431 1.00 63.31 C ATOM 593 O VAL A 37 -5.942 9.015 16.063 1.00 73.21 O ATOM 594 CB VAL A 37 -3.860 11.074 15.097 1.00 3.35 C ATOM 595 CG1 VAL A 37 -4.481 12.330 14.509 1.00 74.44 C ATOM 596 CG2 VAL A 37 -2.340 11.184 15.070 1.00 63.44 C ATOM 0 H VAL A 37 -3.198 9.122 16.722 1.00 43.35 H new ATOM 0 HA VAL A 37 -4.447 11.753 17.072 1.00 11.43 H new ATOM 0 HB VAL A 37 -4.142 10.216 14.487 1.00 3.35 H new ATOM 0 HG11 VAL A 37 -4.085 12.497 13.507 1.00 74.44 H new ATOM 0 HG12 VAL A 37 -5.563 12.211 14.457 1.00 74.44 H new ATOM 0 HG13 VAL A 37 -4.241 13.185 15.141 1.00 74.44 H new ATOM 0 HG21 VAL A 37 -2.007 11.371 14.049 1.00 63.44 H new ATOM 0 HG22 VAL A 37 -2.023 12.006 15.712 1.00 63.44 H new ATOM 0 HG23 VAL A 37 -1.901 10.253 15.430 1.00 63.44 H new ATOM 606 N PRO A 38 -6.864 10.940 16.803 1.00 55.34 N ATOM 607 CA PRO A 38 -8.250 10.539 16.544 1.00 13.22 C ATOM 608 C PRO A 38 -8.611 10.701 15.064 1.00 31.42 C ATOM 609 O PRO A 38 -8.832 11.815 14.582 1.00 52.24 O ATOM 610 CB PRO A 38 -9.082 11.494 17.418 1.00 43.03 C ATOM 611 CG PRO A 38 -8.098 12.184 18.304 1.00 53.00 C ATOM 612 CD PRO A 38 -6.809 12.210 17.543 1.00 25.53 C ATOM 0 HA PRO A 38 -8.428 9.489 16.777 1.00 13.22 H new ATOM 0 HB2 PRO A 38 -9.628 12.211 16.805 1.00 43.03 H new ATOM 0 HB3 PRO A 38 -9.821 10.947 18.003 1.00 43.03 H new ATOM 0 HG2 PRO A 38 -8.430 13.194 18.545 1.00 53.00 H new ATOM 0 HG3 PRO A 38 -7.983 11.653 19.249 1.00 53.00 H new ATOM 0 HD2 PRO A 38 -6.747 13.069 16.875 1.00 25.53 H new ATOM 0 HD3 PRO A 38 -5.945 12.259 18.206 1.00 25.53 H new ATOM 620 N ALA A 39 -8.634 9.589 14.341 1.00 10.14 N ATOM 621 CA ALA A 39 -8.853 9.616 12.905 1.00 23.31 C ATOM 622 C ALA A 39 -10.257 9.159 12.592 1.00 34.55 C ATOM 623 O ALA A 39 -10.644 8.039 12.914 1.00 11.24 O ATOM 624 CB ALA A 39 -7.828 8.757 12.185 1.00 5.12 C ATOM 0 H ALA A 39 -8.503 8.655 14.729 1.00 10.14 H new ATOM 0 HA ALA A 39 -8.732 10.640 12.551 1.00 23.31 H new ATOM 0 HB1 ALA A 39 -8.013 8.793 11.111 1.00 5.12 H new ATOM 0 HB2 ALA A 39 -6.827 9.133 12.394 1.00 5.12 H new ATOM 0 HB3 ALA A 39 -7.908 7.727 12.532 1.00 5.12 H new ATOM 630 N TYR A 40 -11.008 10.039 11.966 1.00 24.23 N ATOM 631 CA TYR A 40 -12.414 9.805 11.698 1.00 64.34 C ATOM 632 C TYR A 40 -12.565 9.097 10.364 1.00 23.41 C ATOM 633 O TYR A 40 -11.799 9.357 9.438 1.00 4.15 O ATOM 634 CB TYR A 40 -13.181 11.136 11.702 1.00 72.34 C ATOM 635 CG TYR A 40 -12.937 11.953 12.957 1.00 71.54 C ATOM 636 CD1 TYR A 40 -13.629 11.681 14.122 1.00 43.32 C ATOM 637 CD2 TYR A 40 -11.994 12.975 12.978 1.00 55.53 C ATOM 638 CE1 TYR A 40 -13.391 12.397 15.278 1.00 1.33 C ATOM 639 CE2 TYR A 40 -11.752 13.697 14.128 1.00 2.33 C ATOM 640 CZ TYR A 40 -12.452 13.403 15.277 1.00 1.33 C ATOM 641 OH TYR A 40 -12.209 14.117 16.430 1.00 63.34 O ATOM 0 H TYR A 40 -10.663 10.937 11.628 1.00 24.23 H new ATOM 0 HA TYR A 40 -12.833 9.171 12.479 1.00 64.34 H new ATOM 0 HB2 TYR A 40 -12.888 11.721 10.831 1.00 72.34 H new ATOM 0 HB3 TYR A 40 -14.248 10.935 11.607 1.00 72.34 H new ATOM 0 HD1 TYR A 40 -14.369 10.894 14.128 1.00 43.32 H new ATOM 0 HD2 TYR A 40 -11.442 13.207 12.079 1.00 55.53 H new ATOM 0 HE1 TYR A 40 -13.940 12.169 16.180 1.00 1.33 H new ATOM 0 HE2 TYR A 40 -11.017 14.489 14.127 1.00 2.33 H new ATOM 0 HH TYR A 40 -11.517 14.789 16.259 1.00 63.34 H new ATOM 651 N ALA A 41 -13.573 8.224 10.262 1.00 5.42 N ATOM 652 CA ALA A 41 -13.768 7.356 9.086 1.00 74.41 C ATOM 653 C ALA A 41 -14.411 8.081 7.891 1.00 12.03 C ATOM 654 O ALA A 41 -14.839 7.455 6.925 1.00 71.04 O ATOM 655 CB ALA A 41 -14.586 6.138 9.480 1.00 30.42 C ATOM 0 H ALA A 41 -14.278 8.096 10.988 1.00 5.42 H new ATOM 0 HA ALA A 41 -12.779 7.046 8.750 1.00 74.41 H new ATOM 0 HB1 ALA A 41 -14.729 5.498 8.609 1.00 30.42 H new ATOM 0 HB2 ALA A 41 -14.060 5.582 10.256 1.00 30.42 H new ATOM 0 HB3 ALA A 41 -15.557 6.458 9.858 1.00 30.42 H new ATOM 661 N HIS A 42 -14.437 9.405 7.952 1.00 41.42 N ATOM 662 CA HIS A 42 -14.887 10.241 6.847 1.00 63.42 C ATOM 663 C HIS A 42 -13.682 10.761 6.060 1.00 63.42 C ATOM 664 O HIS A 42 -13.835 11.417 5.034 1.00 51.13 O ATOM 665 CB HIS A 42 -15.700 11.431 7.362 1.00 53.41 C ATOM 666 CG HIS A 42 -16.998 11.074 8.013 1.00 53.42 C ATOM 667 ND1 HIS A 42 -18.178 10.957 7.319 1.00 34.24 N ATOM 668 CD2 HIS A 42 -17.298 10.821 9.308 1.00 73.24 C ATOM 669 CE1 HIS A 42 -19.147 10.649 8.153 1.00 71.32 C ATOM 670 NE2 HIS A 42 -18.643 10.559 9.367 1.00 74.42 N ATOM 0 H HIS A 42 -14.145 9.933 8.774 1.00 41.42 H new ATOM 0 HA HIS A 42 -15.518 9.634 6.198 1.00 63.42 H new ATOM 0 HB2 HIS A 42 -15.092 11.985 8.077 1.00 53.41 H new ATOM 0 HB3 HIS A 42 -15.902 12.103 6.528 1.00 53.41 H new ATOM 0 HD2 HIS A 42 -16.608 10.825 10.139 1.00 73.24 H new ATOM 0 HE1 HIS A 42 -20.182 10.496 7.887 1.00 71.32 H new ATOM 0 HE2 HIS A 42 -19.167 10.332 10.212 1.00 74.42 H new ATOM 679 N ASP A 43 -12.485 10.450 6.557 1.00 62.02 N ATOM 680 CA ASP A 43 -11.232 10.919 5.968 1.00 62.33 C ATOM 681 C ASP A 43 -10.539 9.830 5.163 1.00 3.12 C ATOM 682 O ASP A 43 -9.315 9.828 5.075 1.00 14.01 O ATOM 683 CB ASP A 43 -10.283 11.408 7.067 1.00 54.12 C ATOM 684 CG ASP A 43 -10.753 12.677 7.734 1.00 13.22 C ATOM 685 OD1 ASP A 43 -10.556 13.763 7.152 1.00 25.43 O ATOM 686 OD2 ASP A 43 -11.304 12.599 8.848 1.00 30.31 O ATOM 0 H ASP A 43 -12.357 9.864 7.382 1.00 62.02 H new ATOM 0 HA ASP A 43 -11.481 11.738 5.293 1.00 62.33 H new ATOM 0 HB2 ASP A 43 -10.176 10.627 7.820 1.00 54.12 H new ATOM 0 HB3 ASP A 43 -9.295 11.575 6.638 1.00 54.12 H new ATOM 691 N LYS A 44 -11.341 8.952 4.534 1.00 64.10 N ATOM 692 CA LYS A 44 -10.852 7.777 3.783 1.00 63.34 C ATOM 693 C LYS A 44 -10.011 6.856 4.677 1.00 62.03 C ATOM 694 O LYS A 44 -8.780 6.836 4.589 1.00 23.45 O ATOM 695 CB LYS A 44 -10.048 8.166 2.524 1.00 11.54 C ATOM 696 CG LYS A 44 -10.854 8.851 1.433 1.00 42.15 C ATOM 697 CD LYS A 44 -9.967 9.204 0.250 1.00 2.31 C ATOM 698 CE LYS A 44 -10.760 9.783 -0.917 1.00 22.21 C ATOM 699 NZ LYS A 44 -11.665 8.776 -1.536 1.00 73.24 N ATOM 0 H LYS A 44 -12.357 9.037 4.532 1.00 64.10 H new ATOM 0 HA LYS A 44 -11.740 7.239 3.452 1.00 63.34 H new ATOM 0 HB2 LYS A 44 -9.233 8.826 2.821 1.00 11.54 H new ATOM 0 HB3 LYS A 44 -9.594 7.266 2.109 1.00 11.54 H new ATOM 0 HG2 LYS A 44 -11.662 8.196 1.106 1.00 42.15 H new ATOM 0 HG3 LYS A 44 -11.317 9.755 1.829 1.00 42.15 H new ATOM 0 HD2 LYS A 44 -9.213 9.925 0.567 1.00 2.31 H new ATOM 0 HD3 LYS A 44 -9.436 8.312 -0.082 1.00 2.31 H new ATOM 0 HE2 LYS A 44 -11.348 10.632 -0.569 1.00 22.21 H new ATOM 0 HE3 LYS A 44 -10.070 10.161 -1.671 1.00 22.21 H new ATOM 0 HZ1 LYS A 44 -12.068 9.164 -2.413 1.00 73.24 H new ATOM 0 HZ2 LYS A 44 -11.127 7.913 -1.754 1.00 73.24 H new ATOM 0 HZ3 LYS A 44 -12.433 8.546 -0.874 1.00 73.24 H new ATOM 713 N VAL A 45 -10.680 6.130 5.567 1.00 71.12 N ATOM 714 CA VAL A 45 -9.999 5.196 6.451 1.00 44.23 C ATOM 715 C VAL A 45 -10.068 3.802 5.853 1.00 34.22 C ATOM 716 O VAL A 45 -11.115 3.148 5.836 1.00 13.54 O ATOM 717 CB VAL A 45 -10.569 5.231 7.895 1.00 0.01 C ATOM 718 CG1 VAL A 45 -9.942 4.162 8.780 1.00 60.11 C ATOM 719 CG2 VAL A 45 -10.330 6.595 8.514 1.00 35.12 C ATOM 0 H VAL A 45 -11.691 6.172 5.694 1.00 71.12 H new ATOM 0 HA VAL A 45 -8.955 5.497 6.536 1.00 44.23 H new ATOM 0 HB VAL A 45 -11.638 5.031 7.827 1.00 0.01 H new ATOM 0 HG11 VAL A 45 -10.369 4.222 9.781 1.00 60.11 H new ATOM 0 HG12 VAL A 45 -10.142 3.177 8.358 1.00 60.11 H new ATOM 0 HG13 VAL A 45 -8.865 4.321 8.835 1.00 60.11 H new ATOM 0 HG21 VAL A 45 -10.733 6.611 9.527 1.00 35.12 H new ATOM 0 HG22 VAL A 45 -9.259 6.797 8.546 1.00 35.12 H new ATOM 0 HG23 VAL A 45 -10.826 7.359 7.914 1.00 35.12 H new ATOM 729 N ILE A 46 -8.935 3.399 5.322 1.00 12.21 N ATOM 730 CA ILE A 46 -8.773 2.133 4.631 1.00 24.45 C ATOM 731 C ILE A 46 -7.767 1.307 5.431 1.00 33.15 C ATOM 732 O ILE A 46 -6.947 1.879 6.111 1.00 50.44 O ATOM 733 CB ILE A 46 -8.211 2.367 3.182 1.00 53.32 C ATOM 734 CG1 ILE A 46 -8.944 3.514 2.440 1.00 63.44 C ATOM 735 CG2 ILE A 46 -8.246 1.090 2.342 1.00 44.32 C ATOM 736 CD1 ILE A 46 -10.430 3.298 2.200 1.00 43.04 C ATOM 0 H ILE A 46 -8.079 3.953 5.358 1.00 12.21 H new ATOM 0 HA ILE A 46 -9.733 1.623 4.548 1.00 24.45 H new ATOM 0 HB ILE A 46 -7.170 2.665 3.311 1.00 53.32 H new ATOM 0 HG12 ILE A 46 -8.817 4.433 3.013 1.00 63.44 H new ATOM 0 HG13 ILE A 46 -8.458 3.669 1.477 1.00 63.44 H new ATOM 0 HG21 ILE A 46 -7.849 1.297 1.348 1.00 44.32 H new ATOM 0 HG22 ILE A 46 -7.640 0.322 2.822 1.00 44.32 H new ATOM 0 HG23 ILE A 46 -9.274 0.739 2.256 1.00 44.32 H new ATOM 0 HD11 ILE A 46 -10.843 4.159 1.675 1.00 43.04 H new ATOM 0 HD12 ILE A 46 -10.575 2.402 1.597 1.00 43.04 H new ATOM 0 HD13 ILE A 46 -10.939 3.178 3.156 1.00 43.04 H new ATOM 748 N SER A 47 -7.854 -0.011 5.410 1.00 44.31 N ATOM 749 CA SER A 47 -6.749 -0.833 5.897 1.00 52.12 C ATOM 750 C SER A 47 -5.859 -1.186 4.699 1.00 53.34 C ATOM 751 O SER A 47 -6.370 -1.368 3.593 1.00 41.10 O ATOM 752 CB SER A 47 -7.258 -2.089 6.632 1.00 10.33 C ATOM 753 OG SER A 47 -8.159 -2.846 5.843 1.00 22.33 O ATOM 0 H SER A 47 -8.661 -0.533 5.068 1.00 44.31 H new ATOM 0 HA SER A 47 -6.166 -0.278 6.632 1.00 52.12 H new ATOM 0 HB2 SER A 47 -6.409 -2.714 6.910 1.00 10.33 H new ATOM 0 HB3 SER A 47 -7.751 -1.791 7.557 1.00 10.33 H new ATOM 0 HG SER A 47 -8.454 -3.633 6.347 1.00 22.33 H new ATOM 759 N LEU A 48 -4.540 -1.255 4.902 1.00 14.12 N ATOM 760 CA LEU A 48 -3.584 -1.491 3.800 1.00 70.14 C ATOM 761 C LEU A 48 -3.706 -2.904 3.222 1.00 52.12 C ATOM 762 O LEU A 48 -3.442 -3.127 2.035 1.00 42.14 O ATOM 763 CB LEU A 48 -2.147 -1.259 4.276 1.00 0.30 C ATOM 764 CG LEU A 48 -1.071 -1.345 3.189 1.00 65.44 C ATOM 765 CD1 LEU A 48 -1.136 -0.142 2.265 1.00 53.03 C ATOM 766 CD2 LEU A 48 0.302 -1.465 3.810 1.00 3.25 C ATOM 0 H LEU A 48 -4.103 -1.151 5.818 1.00 14.12 H new ATOM 0 HA LEU A 48 -3.830 -0.780 3.011 1.00 70.14 H new ATOM 0 HB2 LEU A 48 -2.091 -0.275 4.741 1.00 0.30 H new ATOM 0 HB3 LEU A 48 -1.916 -1.991 5.050 1.00 0.30 H new ATOM 0 HG LEU A 48 -1.260 -2.239 2.594 1.00 65.44 H new ATOM 0 HD11 LEU A 48 -0.362 -0.227 1.502 1.00 53.03 H new ATOM 0 HD12 LEU A 48 -2.115 -0.103 1.786 1.00 53.03 H new ATOM 0 HD13 LEU A 48 -0.978 0.769 2.842 1.00 53.03 H new ATOM 0 HD21 LEU A 48 1.053 -1.525 3.023 1.00 3.25 H new ATOM 0 HD22 LEU A 48 0.497 -0.592 4.432 1.00 3.25 H new ATOM 0 HD23 LEU A 48 0.347 -2.365 4.423 1.00 3.25 H new ATOM 778 N ALA A 49 -4.144 -3.846 4.058 1.00 72.20 N ATOM 779 CA ALA A 49 -4.310 -5.231 3.642 1.00 4.34 C ATOM 780 C ALA A 49 -5.589 -5.437 2.797 1.00 1.22 C ATOM 781 O ALA A 49 -5.784 -6.498 2.199 1.00 20.40 O ATOM 782 CB ALA A 49 -4.333 -6.131 4.863 1.00 73.03 C ATOM 0 H ALA A 49 -4.390 -3.669 5.032 1.00 72.20 H new ATOM 0 HA ALA A 49 -3.463 -5.493 3.008 1.00 4.34 H new ATOM 0 HB1 ALA A 49 -4.457 -7.167 4.549 1.00 73.03 H new ATOM 0 HB2 ALA A 49 -3.395 -6.027 5.409 1.00 73.03 H new ATOM 0 HB3 ALA A 49 -5.163 -5.846 5.510 1.00 73.03 H new ATOM 788 N ASP A 50 -6.450 -4.407 2.759 1.00 70.30 N ATOM 789 CA ASP A 50 -7.745 -4.468 2.070 1.00 45.22 C ATOM 790 C ASP A 50 -7.607 -4.218 0.565 1.00 1.22 C ATOM 791 O ASP A 50 -8.378 -4.768 -0.226 1.00 61.24 O ATOM 792 CB ASP A 50 -8.708 -3.448 2.698 1.00 63.45 C ATOM 793 CG ASP A 50 -10.076 -3.391 2.041 1.00 51.24 C ATOM 794 OD1 ASP A 50 -10.912 -4.271 2.328 1.00 74.23 O ATOM 795 OD2 ASP A 50 -10.330 -2.438 1.271 1.00 40.24 O ATOM 0 H ASP A 50 -6.266 -3.509 3.206 1.00 70.30 H new ATOM 0 HA ASP A 50 -8.146 -5.474 2.191 1.00 45.22 H new ATOM 0 HB2 ASP A 50 -8.835 -3.688 3.754 1.00 63.45 H new ATOM 0 HB3 ASP A 50 -8.253 -2.459 2.649 1.00 63.45 H new ATOM 800 N ILE A 51 -6.626 -3.393 0.173 1.00 11.14 N ATOM 801 CA ILE A 51 -6.367 -3.115 -1.246 1.00 43.34 C ATOM 802 C ILE A 51 -5.822 -4.390 -1.910 1.00 13.33 C ATOM 803 O ILE A 51 -5.111 -5.172 -1.271 1.00 52.45 O ATOM 804 CB ILE A 51 -5.384 -1.903 -1.455 1.00 74.41 C ATOM 805 CG1 ILE A 51 -5.850 -0.649 -0.700 1.00 41.03 C ATOM 806 CG2 ILE A 51 -5.235 -1.547 -2.933 1.00 11.13 C ATOM 807 CD1 ILE A 51 -5.116 -0.394 0.598 1.00 61.41 C ATOM 0 H ILE A 51 -6.001 -2.908 0.817 1.00 11.14 H new ATOM 0 HA ILE A 51 -7.306 -2.824 -1.716 1.00 43.34 H new ATOM 0 HB ILE A 51 -4.422 -2.227 -1.057 1.00 74.41 H new ATOM 0 HG12 ILE A 51 -5.728 0.218 -1.349 1.00 41.03 H new ATOM 0 HG13 ILE A 51 -6.915 -0.741 -0.489 1.00 41.03 H new ATOM 0 HG21 ILE A 51 -4.549 -0.706 -3.037 1.00 11.13 H new ATOM 0 HG22 ILE A 51 -4.841 -2.406 -3.476 1.00 11.13 H new ATOM 0 HG23 ILE A 51 -6.208 -1.274 -3.341 1.00 11.13 H new ATOM 0 HD11 ILE A 51 -5.507 0.510 1.066 1.00 61.41 H new ATOM 0 HD12 ILE A 51 -5.259 -1.241 1.269 1.00 61.41 H new ATOM 0 HD13 ILE A 51 -4.053 -0.267 0.396 1.00 61.41 H new ATOM 819 N ALA A 52 -6.161 -4.590 -3.180 1.00 41.40 N ATOM 820 CA ALA A 52 -5.880 -5.835 -3.872 1.00 23.44 C ATOM 821 C ALA A 52 -5.624 -5.568 -5.350 1.00 42.14 C ATOM 822 O ALA A 52 -5.882 -4.467 -5.844 1.00 13.12 O ATOM 823 CB ALA A 52 -7.015 -6.840 -3.701 1.00 11.31 C ATOM 0 H ALA A 52 -6.637 -3.893 -3.753 1.00 41.40 H new ATOM 0 HA ALA A 52 -4.985 -6.270 -3.428 1.00 23.44 H new ATOM 0 HB1 ALA A 52 -6.770 -7.760 -4.232 1.00 11.31 H new ATOM 0 HB2 ALA A 52 -7.151 -7.058 -2.642 1.00 11.31 H new ATOM 0 HB3 ALA A 52 -7.936 -6.421 -4.107 1.00 11.31 H new ATOM 829 N MET A 53 -5.151 -6.597 -6.041 1.00 64.02 N ATOM 830 CA MET A 53 -4.740 -6.523 -7.439 1.00 72.41 C ATOM 831 C MET A 53 -5.111 -7.824 -8.122 1.00 21.42 C ATOM 832 O MET A 53 -4.859 -8.908 -7.579 1.00 13.21 O ATOM 833 CB MET A 53 -3.221 -6.313 -7.589 1.00 31.13 C ATOM 834 CG MET A 53 -2.699 -5.001 -7.051 1.00 2.11 C ATOM 835 SD MET A 53 -3.292 -3.594 -7.985 1.00 34.11 S ATOM 836 CE MET A 53 -2.584 -2.279 -7.015 1.00 55.12 C ATOM 0 H MET A 53 -5.040 -7.527 -5.637 1.00 64.02 H new ATOM 0 HA MET A 53 -5.247 -5.671 -7.891 1.00 72.41 H new ATOM 0 HB2 MET A 53 -2.705 -7.127 -7.080 1.00 31.13 H new ATOM 0 HB3 MET A 53 -2.963 -6.383 -8.646 1.00 31.13 H new ATOM 0 HG2 MET A 53 -2.999 -4.894 -6.009 1.00 2.11 H new ATOM 0 HG3 MET A 53 -1.609 -5.012 -7.069 1.00 2.11 H new ATOM 0 HE1 MET A 53 -2.603 -1.353 -7.589 1.00 55.12 H new ATOM 0 HE2 MET A 53 -3.162 -2.151 -6.100 1.00 55.12 H new ATOM 0 HE3 MET A 53 -1.553 -2.528 -6.762 1.00 55.12 H new ATOM 846 N TYR A 54 -5.724 -7.731 -9.290 1.00 52.52 N ATOM 847 CA TYR A 54 -6.070 -8.918 -10.051 1.00 23.51 C ATOM 848 C TYR A 54 -5.221 -8.980 -11.306 1.00 41.32 C ATOM 849 O TYR A 54 -5.166 -8.036 -12.090 1.00 50.31 O ATOM 850 CB TYR A 54 -7.557 -8.956 -10.401 1.00 42.12 C ATOM 851 CG TYR A 54 -8.482 -8.773 -9.219 1.00 74.53 C ATOM 852 CD1 TYR A 54 -8.711 -9.806 -8.317 1.00 54.14 C ATOM 853 CD2 TYR A 54 -9.122 -7.559 -9.005 1.00 53.23 C ATOM 854 CE1 TYR A 54 -9.557 -9.633 -7.238 1.00 0.33 C ATOM 855 CE2 TYR A 54 -9.970 -7.379 -7.930 1.00 12.20 C ATOM 856 CZ TYR A 54 -10.181 -8.418 -7.051 1.00 50.43 C ATOM 857 OH TYR A 54 -11.028 -8.239 -5.981 1.00 31.25 O ATOM 0 H TYR A 54 -5.991 -6.850 -9.730 1.00 52.52 H new ATOM 0 HA TYR A 54 -5.867 -9.792 -9.432 1.00 23.51 H new ATOM 0 HB2 TYR A 54 -7.765 -8.176 -11.134 1.00 42.12 H new ATOM 0 HB3 TYR A 54 -7.781 -9.910 -10.878 1.00 42.12 H new ATOM 0 HD1 TYR A 54 -8.221 -10.757 -8.462 1.00 54.14 H new ATOM 0 HD2 TYR A 54 -8.954 -6.742 -9.691 1.00 53.23 H new ATOM 0 HE1 TYR A 54 -9.728 -10.444 -6.546 1.00 0.33 H new ATOM 0 HE2 TYR A 54 -10.464 -6.430 -7.780 1.00 12.20 H new ATOM 0 HH TYR A 54 -11.384 -7.326 -5.995 1.00 31.25 H new ATOM 867 N THR A 55 -4.533 -10.087 -11.456 1.00 33.34 N ATOM 868 CA THR A 55 -3.564 -10.289 -12.520 1.00 72.52 C ATOM 869 C THR A 55 -3.767 -11.716 -13.097 1.00 55.21 C ATOM 870 O THR A 55 -4.841 -12.281 -12.918 1.00 51.21 O ATOM 871 CB THR A 55 -2.122 -10.008 -11.935 1.00 53.23 C ATOM 872 OG1 THR A 55 -1.080 -10.340 -12.844 1.00 15.14 O ATOM 873 CG2 THR A 55 -1.891 -10.728 -10.618 1.00 53.53 C ATOM 0 H THR A 55 -4.629 -10.890 -10.834 1.00 33.34 H new ATOM 0 HA THR A 55 -3.695 -9.600 -13.355 1.00 72.52 H new ATOM 0 HB THR A 55 -2.089 -8.932 -11.763 1.00 53.23 H new ATOM 0 HG1 THR A 55 -0.671 -11.190 -12.577 1.00 15.14 H new ATOM 0 HG21 THR A 55 -0.888 -10.506 -10.253 1.00 53.53 H new ATOM 0 HG22 THR A 55 -2.626 -10.392 -9.886 1.00 53.53 H new ATOM 0 HG23 THR A 55 -1.993 -11.803 -10.768 1.00 53.53 H new ATOM 881 N ASP A 56 -2.756 -12.310 -13.756 1.00 3.33 N ATOM 882 CA ASP A 56 -2.840 -13.689 -14.277 1.00 51.21 C ATOM 883 C ASP A 56 -2.340 -14.678 -13.191 1.00 60.02 C ATOM 884 O ASP A 56 -2.024 -15.836 -13.439 1.00 22.51 O ATOM 885 CB ASP A 56 -2.009 -13.805 -15.561 1.00 10.20 C ATOM 886 CG ASP A 56 -2.529 -14.876 -16.506 1.00 70.25 C ATOM 887 OD1 ASP A 56 -3.384 -14.559 -17.354 1.00 54.11 O ATOM 888 OD2 ASP A 56 -2.067 -16.028 -16.423 1.00 1.12 O ATOM 0 H ASP A 56 -1.863 -11.853 -13.942 1.00 3.33 H new ATOM 0 HA ASP A 56 -3.873 -13.937 -14.519 1.00 51.21 H new ATOM 0 HB2 ASP A 56 -2.007 -12.844 -16.075 1.00 10.20 H new ATOM 0 HB3 ASP A 56 -0.975 -14.029 -15.300 1.00 10.20 H new ATOM 893 N ALA A 57 -2.315 -14.155 -11.981 1.00 53.21 N ATOM 894 CA ALA A 57 -1.993 -14.855 -10.759 1.00 42.11 C ATOM 895 C ALA A 57 -3.290 -14.950 -9.956 1.00 11.35 C ATOM 896 O ALA A 57 -4.373 -15.028 -10.549 1.00 31.22 O ATOM 897 CB ALA A 57 -0.885 -14.124 -10.009 1.00 51.34 C ATOM 0 H ALA A 57 -2.532 -13.172 -11.818 1.00 53.21 H new ATOM 0 HA ALA A 57 -1.610 -15.857 -10.950 1.00 42.11 H new ATOM 0 HB1 ALA A 57 -0.652 -14.662 -9.090 1.00 51.34 H new ATOM 0 HB2 ALA A 57 0.006 -14.072 -10.635 1.00 51.34 H new ATOM 0 HB3 ALA A 57 -1.216 -13.115 -9.765 1.00 51.34 H new ATOM 903 N GLU A 58 -3.213 -14.924 -8.629 1.00 53.14 N ATOM 904 CA GLU A 58 -4.399 -15.156 -7.816 1.00 21.11 C ATOM 905 C GLU A 58 -4.909 -13.791 -7.342 1.00 63.21 C ATOM 906 O GLU A 58 -4.641 -12.772 -7.998 1.00 62.23 O ATOM 907 CB GLU A 58 -4.064 -16.077 -6.638 1.00 40.12 C ATOM 908 CG GLU A 58 -3.557 -17.437 -7.073 1.00 71.52 C ATOM 909 CD GLU A 58 -3.333 -18.377 -5.916 1.00 71.12 C ATOM 910 OE1 GLU A 58 -2.358 -18.177 -5.165 1.00 43.45 O ATOM 911 OE2 GLU A 58 -4.110 -19.340 -5.774 1.00 12.55 O ATOM 0 H GLU A 58 -2.357 -14.748 -8.102 1.00 53.14 H new ATOM 0 HA GLU A 58 -5.177 -15.655 -8.394 1.00 21.11 H new ATOM 0 HB2 GLU A 58 -3.311 -15.598 -6.013 1.00 40.12 H new ATOM 0 HB3 GLU A 58 -4.954 -16.207 -6.022 1.00 40.12 H new ATOM 0 HG2 GLU A 58 -4.273 -17.883 -7.763 1.00 71.52 H new ATOM 0 HG3 GLU A 58 -2.622 -17.313 -7.620 1.00 71.52 H new ATOM 918 N GLU A 59 -5.634 -13.739 -6.228 1.00 34.33 N ATOM 919 CA GLU A 59 -6.043 -12.466 -5.676 1.00 1.30 C ATOM 920 C GLU A 59 -4.921 -11.954 -4.776 1.00 61.22 C ATOM 921 O GLU A 59 -4.716 -12.422 -3.650 1.00 43.33 O ATOM 922 CB GLU A 59 -7.399 -12.558 -4.945 1.00 72.31 C ATOM 923 CG GLU A 59 -7.511 -13.679 -3.917 1.00 22.53 C ATOM 924 CD GLU A 59 -8.780 -13.597 -3.100 1.00 24.35 C ATOM 925 OE1 GLU A 59 -8.852 -12.743 -2.192 1.00 54.41 O ATOM 926 OE2 GLU A 59 -9.700 -14.398 -3.346 1.00 72.54 O ATOM 0 H GLU A 59 -5.943 -14.556 -5.701 1.00 34.33 H new ATOM 0 HA GLU A 59 -6.207 -11.751 -6.482 1.00 1.30 H new ATOM 0 HB2 GLU A 59 -7.588 -11.608 -4.445 1.00 72.31 H new ATOM 0 HB3 GLU A 59 -8.185 -12.689 -5.688 1.00 72.31 H new ATOM 0 HG2 GLU A 59 -7.475 -14.641 -4.429 1.00 22.53 H new ATOM 0 HG3 GLU A 59 -6.651 -13.641 -3.249 1.00 22.53 H new ATOM 933 N VAL A 60 -4.158 -11.027 -5.318 1.00 20.12 N ATOM 934 CA VAL A 60 -2.962 -10.547 -4.663 1.00 11.13 C ATOM 935 C VAL A 60 -3.311 -9.371 -3.760 1.00 64.14 C ATOM 936 O VAL A 60 -3.885 -8.401 -4.228 1.00 40.03 O ATOM 937 CB VAL A 60 -1.876 -10.132 -5.702 1.00 13.51 C ATOM 938 CG1 VAL A 60 -0.626 -9.618 -5.031 1.00 32.43 C ATOM 939 CG2 VAL A 60 -1.487 -11.294 -6.584 1.00 5.35 C ATOM 0 H VAL A 60 -4.349 -10.589 -6.219 1.00 20.12 H new ATOM 0 HA VAL A 60 -2.550 -11.356 -4.060 1.00 11.13 H new ATOM 0 HB VAL A 60 -2.320 -9.339 -6.303 1.00 13.51 H new ATOM 0 HG11 VAL A 60 0.106 -9.340 -5.789 1.00 32.43 H new ATOM 0 HG12 VAL A 60 -0.871 -8.746 -4.425 1.00 32.43 H new ATOM 0 HG13 VAL A 60 -0.209 -10.397 -4.393 1.00 32.43 H new ATOM 0 HG21 VAL A 60 -0.728 -10.971 -7.297 1.00 5.35 H new ATOM 0 HG22 VAL A 60 -1.087 -12.100 -5.969 1.00 5.35 H new ATOM 0 HG23 VAL A 60 -2.364 -11.651 -7.124 1.00 5.35 H new ATOM 949 N PRO A 61 -2.998 -9.454 -2.445 1.00 1.32 N ATOM 950 CA PRO A 61 -3.092 -8.302 -1.548 1.00 40.11 C ATOM 951 C PRO A 61 -2.067 -7.241 -1.932 1.00 43.25 C ATOM 952 O PRO A 61 -1.044 -7.562 -2.552 1.00 12.11 O ATOM 953 CB PRO A 61 -2.769 -8.869 -0.159 1.00 40.22 C ATOM 954 CG PRO A 61 -2.832 -10.354 -0.300 1.00 31.11 C ATOM 955 CD PRO A 61 -2.532 -10.660 -1.735 1.00 31.25 C ATOM 0 HA PRO A 61 -4.071 -7.825 -1.589 1.00 40.11 H new ATOM 0 HB2 PRO A 61 -1.781 -8.550 0.174 1.00 40.22 H new ATOM 0 HB3 PRO A 61 -3.485 -8.516 0.583 1.00 40.22 H new ATOM 0 HG2 PRO A 61 -2.110 -10.837 0.358 1.00 31.11 H new ATOM 0 HG3 PRO A 61 -3.817 -10.728 -0.022 1.00 31.11 H new ATOM 0 HD2 PRO A 61 -1.468 -10.835 -1.895 1.00 31.25 H new ATOM 0 HD3 PRO A 61 -3.056 -11.554 -2.074 1.00 31.25 H new ATOM 963 N LEU A 62 -2.326 -5.988 -1.557 1.00 43.13 N ATOM 964 CA LEU A 62 -1.417 -4.891 -1.881 1.00 54.31 C ATOM 965 C LEU A 62 -0.064 -5.085 -1.212 1.00 3.31 C ATOM 966 O LEU A 62 0.938 -4.684 -1.765 1.00 20.43 O ATOM 967 CB LEU A 62 -1.982 -3.523 -1.491 1.00 54.30 C ATOM 968 CG LEU A 62 -1.244 -2.347 -2.137 1.00 63.52 C ATOM 969 CD1 LEU A 62 -1.397 -2.406 -3.642 1.00 60.51 C ATOM 970 CD2 LEU A 62 -1.746 -1.021 -1.616 1.00 22.53 C ATOM 0 H LEU A 62 -3.154 -5.709 -1.031 1.00 43.13 H new ATOM 0 HA LEU A 62 -1.296 -4.909 -2.964 1.00 54.31 H new ATOM 0 HB2 LEU A 62 -3.034 -3.480 -1.773 1.00 54.30 H new ATOM 0 HB3 LEU A 62 -1.938 -3.417 -0.407 1.00 54.30 H new ATOM 0 HG LEU A 62 -0.189 -2.429 -1.875 1.00 63.52 H new ATOM 0 HD11 LEU A 62 -0.869 -1.566 -4.095 1.00 60.51 H new ATOM 0 HD12 LEU A 62 -0.978 -3.341 -4.014 1.00 60.51 H new ATOM 0 HD13 LEU A 62 -2.454 -2.353 -3.903 1.00 60.51 H new ATOM 0 HD21 LEU A 62 -1.199 -0.210 -2.097 1.00 22.53 H new ATOM 0 HD22 LEU A 62 -2.809 -0.922 -1.836 1.00 22.53 H new ATOM 0 HD23 LEU A 62 -1.593 -0.972 -0.538 1.00 22.53 H new ATOM 982 N SER A 63 -0.065 -5.759 -0.061 1.00 72.21 N ATOM 983 CA SER A 63 1.135 -6.121 0.680 1.00 70.42 C ATOM 984 C SER A 63 2.125 -6.944 -0.157 1.00 34.44 C ATOM 985 O SER A 63 3.314 -6.664 -0.137 1.00 13.23 O ATOM 986 CB SER A 63 0.719 -6.907 1.914 1.00 53.44 C ATOM 987 OG SER A 63 -0.235 -6.186 2.675 1.00 43.42 O ATOM 0 H SER A 63 -0.924 -6.074 0.389 1.00 72.21 H new ATOM 0 HA SER A 63 1.652 -5.203 0.957 1.00 70.42 H new ATOM 0 HB2 SER A 63 0.300 -7.868 1.614 1.00 53.44 H new ATOM 0 HB3 SER A 63 1.595 -7.119 2.528 1.00 53.44 H new ATOM 0 HG SER A 63 0.079 -6.103 3.600 1.00 43.42 H new ATOM 993 N GLU A 64 1.630 -7.913 -0.934 1.00 23.01 N ATOM 994 CA GLU A 64 2.505 -8.751 -1.761 1.00 31.40 C ATOM 995 C GLU A 64 3.104 -7.953 -2.926 1.00 44.52 C ATOM 996 O GLU A 64 4.260 -8.158 -3.286 1.00 31.52 O ATOM 997 CB GLU A 64 1.750 -9.962 -2.313 1.00 24.42 C ATOM 998 CG GLU A 64 1.221 -10.910 -1.258 1.00 72.43 C ATOM 999 CD GLU A 64 2.323 -11.554 -0.449 1.00 21.00 C ATOM 1000 OE1 GLU A 64 2.831 -12.612 -0.862 1.00 11.03 O ATOM 1001 OE2 GLU A 64 2.678 -11.009 0.607 1.00 35.14 O ATOM 0 H GLU A 64 0.637 -8.135 -1.008 1.00 23.01 H new ATOM 0 HA GLU A 64 3.314 -9.098 -1.118 1.00 31.40 H new ATOM 0 HB2 GLU A 64 0.914 -9.608 -2.917 1.00 24.42 H new ATOM 0 HB3 GLU A 64 2.413 -10.514 -2.979 1.00 24.42 H new ATOM 0 HG2 GLU A 64 0.554 -10.367 -0.589 1.00 72.43 H new ATOM 0 HG3 GLU A 64 0.627 -11.687 -1.739 1.00 72.43 H new ATOM 1008 N VAL A 65 2.284 -7.074 -3.510 1.00 64.15 N ATOM 1009 CA VAL A 65 2.731 -6.046 -4.474 1.00 14.43 C ATOM 1010 C VAL A 65 3.866 -5.148 -3.916 1.00 21.51 C ATOM 1011 O VAL A 65 4.911 -5.002 -4.567 1.00 3.15 O ATOM 1012 CB VAL A 65 1.525 -5.164 -4.893 1.00 44.22 C ATOM 1013 CG1 VAL A 65 1.943 -4.009 -5.785 1.00 24.54 C ATOM 1014 CG2 VAL A 65 0.475 -6.004 -5.589 1.00 21.22 C ATOM 0 H VAL A 65 1.280 -7.050 -3.330 1.00 64.15 H new ATOM 0 HA VAL A 65 3.136 -6.573 -5.338 1.00 14.43 H new ATOM 0 HB VAL A 65 1.104 -4.739 -3.982 1.00 44.22 H new ATOM 0 HG11 VAL A 65 1.066 -3.420 -6.053 1.00 24.54 H new ATOM 0 HG12 VAL A 65 2.655 -3.378 -5.253 1.00 24.54 H new ATOM 0 HG13 VAL A 65 2.408 -4.398 -6.690 1.00 24.54 H new ATOM 0 HG21 VAL A 65 -0.365 -5.372 -5.877 1.00 21.22 H new ATOM 0 HG22 VAL A 65 0.907 -6.462 -6.479 1.00 21.22 H new ATOM 0 HG23 VAL A 65 0.126 -6.784 -4.913 1.00 21.22 H new ATOM 1024 N LEU A 66 3.651 -4.582 -2.709 1.00 31.22 N ATOM 1025 CA LEU A 66 4.626 -3.697 -2.026 1.00 64.43 C ATOM 1026 C LEU A 66 5.946 -4.423 -1.750 1.00 32.20 C ATOM 1027 O LEU A 66 7.027 -3.821 -1.764 1.00 41.53 O ATOM 1028 CB LEU A 66 4.070 -3.211 -0.673 1.00 14.32 C ATOM 1029 CG LEU A 66 2.728 -2.480 -0.697 1.00 24.41 C ATOM 1030 CD1 LEU A 66 2.097 -2.519 0.676 1.00 34.23 C ATOM 1031 CD2 LEU A 66 2.892 -1.045 -1.136 1.00 2.24 C ATOM 0 H LEU A 66 2.793 -4.725 -2.176 1.00 31.22 H new ATOM 0 HA LEU A 66 4.800 -2.853 -2.694 1.00 64.43 H new ATOM 0 HB2 LEU A 66 3.973 -4.076 -0.016 1.00 14.32 H new ATOM 0 HB3 LEU A 66 4.809 -2.549 -0.221 1.00 14.32 H new ATOM 0 HG LEU A 66 2.083 -2.986 -1.415 1.00 24.41 H new ATOM 0 HD11 LEU A 66 1.141 -1.996 0.652 1.00 34.23 H new ATOM 0 HD12 LEU A 66 1.937 -3.555 0.973 1.00 34.23 H new ATOM 0 HD13 LEU A 66 2.758 -2.034 1.394 1.00 34.23 H new ATOM 0 HD21 LEU A 66 1.919 -0.553 -1.142 1.00 2.24 H new ATOM 0 HD22 LEU A 66 3.556 -0.527 -0.445 1.00 2.24 H new ATOM 0 HD23 LEU A 66 3.319 -1.018 -2.139 1.00 2.24 H new ATOM 1043 N GLU A 67 5.830 -5.725 -1.501 1.00 43.20 N ATOM 1044 CA GLU A 67 6.958 -6.575 -1.196 1.00 40.21 C ATOM 1045 C GLU A 67 7.778 -6.888 -2.442 1.00 74.32 C ATOM 1046 O GLU A 67 8.997 -6.775 -2.404 1.00 15.15 O ATOM 1047 CB GLU A 67 6.475 -7.878 -0.533 1.00 61.20 C ATOM 1048 CG GLU A 67 7.601 -8.742 0.022 1.00 71.04 C ATOM 1049 CD GLU A 67 8.469 -7.978 0.985 1.00 55.41 C ATOM 1050 OE1 GLU A 67 7.922 -7.189 1.762 1.00 25.32 O ATOM 1051 OE2 GLU A 67 9.699 -8.116 0.935 1.00 72.24 O ATOM 0 H GLU A 67 4.936 -6.217 -1.508 1.00 43.20 H new ATOM 0 HA GLU A 67 7.604 -6.037 -0.502 1.00 40.21 H new ATOM 0 HB2 GLU A 67 5.788 -7.630 0.276 1.00 61.20 H new ATOM 0 HB3 GLU A 67 5.911 -8.458 -1.263 1.00 61.20 H new ATOM 0 HG2 GLU A 67 7.178 -9.611 0.525 1.00 71.04 H new ATOM 0 HG3 GLU A 67 8.212 -9.115 -0.800 1.00 71.04 H new ATOM 1058 N ALA A 68 7.085 -7.209 -3.536 1.00 1.33 N ATOM 1059 CA ALA A 68 7.701 -7.751 -4.751 1.00 4.40 C ATOM 1060 C ALA A 68 8.686 -6.789 -5.411 1.00 15.11 C ATOM 1061 O ALA A 68 9.825 -7.170 -5.686 1.00 32.41 O ATOM 1062 CB ALA A 68 6.619 -8.147 -5.742 1.00 61.12 C ATOM 0 H ALA A 68 6.073 -7.100 -3.605 1.00 1.33 H new ATOM 0 HA ALA A 68 8.277 -8.625 -4.449 1.00 4.40 H new ATOM 0 HB1 ALA A 68 7.081 -8.549 -6.644 1.00 61.12 H new ATOM 0 HB2 ALA A 68 5.976 -8.905 -5.295 1.00 61.12 H new ATOM 0 HB3 ALA A 68 6.023 -7.271 -5.999 1.00 61.12 H new ATOM 1068 N VAL A 69 8.254 -5.542 -5.622 1.00 24.34 N ATOM 1069 CA VAL A 69 9.083 -4.509 -6.278 1.00 34.41 C ATOM 1070 C VAL A 69 10.289 -4.083 -5.414 1.00 61.31 C ATOM 1071 O VAL A 69 11.369 -3.811 -5.945 1.00 74.33 O ATOM 1072 CB VAL A 69 8.244 -3.255 -6.655 1.00 24.45 C ATOM 1073 CG1 VAL A 69 7.361 -3.514 -7.860 1.00 13.13 C ATOM 1074 CG2 VAL A 69 7.380 -2.830 -5.488 1.00 74.03 C ATOM 0 H VAL A 69 7.328 -5.215 -5.348 1.00 24.34 H new ATOM 0 HA VAL A 69 9.465 -4.968 -7.190 1.00 34.41 H new ATOM 0 HB VAL A 69 8.946 -2.459 -6.905 1.00 24.45 H new ATOM 0 HG11 VAL A 69 6.790 -2.615 -8.093 1.00 13.13 H new ATOM 0 HG12 VAL A 69 7.982 -3.781 -8.715 1.00 13.13 H new ATOM 0 HG13 VAL A 69 6.675 -4.332 -7.639 1.00 13.13 H new ATOM 0 HG21 VAL A 69 6.799 -1.951 -5.767 1.00 74.03 H new ATOM 0 HG22 VAL A 69 6.704 -3.642 -5.221 1.00 74.03 H new ATOM 0 HG23 VAL A 69 8.014 -2.590 -4.634 1.00 74.03 H new ATOM 1084 N LYS A 70 10.088 -4.037 -4.090 1.00 21.25 N ATOM 1085 CA LYS A 70 11.143 -3.708 -3.129 1.00 20.35 C ATOM 1086 C LYS A 70 12.195 -4.829 -3.052 1.00 52.41 C ATOM 1087 O LYS A 70 13.387 -4.559 -2.921 1.00 25.32 O ATOM 1088 CB LYS A 70 10.506 -3.455 -1.756 1.00 53.31 C ATOM 1089 CG LYS A 70 11.504 -3.254 -0.613 1.00 71.34 C ATOM 1090 CD LYS A 70 10.842 -3.091 0.752 1.00 43.21 C ATOM 1091 CE LYS A 70 10.226 -4.385 1.274 1.00 55.11 C ATOM 1092 NZ LYS A 70 8.884 -4.652 0.694 1.00 61.14 N ATOM 0 H LYS A 70 9.185 -4.228 -3.656 1.00 21.25 H new ATOM 0 HA LYS A 70 11.660 -2.807 -3.459 1.00 20.35 H new ATOM 0 HB2 LYS A 70 9.870 -2.573 -1.823 1.00 53.31 H new ATOM 0 HB3 LYS A 70 9.859 -4.297 -1.511 1.00 53.31 H new ATOM 0 HG2 LYS A 70 12.182 -4.107 -0.579 1.00 71.34 H new ATOM 0 HG3 LYS A 70 12.110 -2.372 -0.821 1.00 71.34 H new ATOM 0 HD2 LYS A 70 11.582 -2.733 1.468 1.00 43.21 H new ATOM 0 HD3 LYS A 70 10.067 -2.327 0.685 1.00 43.21 H new ATOM 0 HE2 LYS A 70 10.890 -5.218 1.044 1.00 55.11 H new ATOM 0 HE3 LYS A 70 10.145 -4.333 2.360 1.00 55.11 H new ATOM 0 HZ1 LYS A 70 8.292 -5.138 1.397 1.00 61.14 H new ATOM 0 HZ2 LYS A 70 8.436 -3.752 0.427 1.00 61.14 H new ATOM 0 HZ3 LYS A 70 8.983 -5.252 -0.149 1.00 61.14 H new ATOM 1106 N LYS A 71 11.722 -6.077 -3.158 1.00 2.13 N ATOM 1107 CA LYS A 71 12.554 -7.286 -3.091 1.00 10.44 C ATOM 1108 C LYS A 71 13.498 -7.421 -4.288 1.00 33.32 C ATOM 1109 O LYS A 71 14.501 -8.124 -4.201 1.00 14.55 O ATOM 1110 CB LYS A 71 11.658 -8.525 -3.013 1.00 25.22 C ATOM 1111 CG LYS A 71 12.156 -9.590 -2.050 1.00 22.45 C ATOM 1112 CD LYS A 71 12.251 -9.037 -0.645 1.00 22.30 C ATOM 1113 CE LYS A 71 12.431 -10.125 0.394 1.00 72.55 C ATOM 1114 NZ LYS A 71 12.394 -9.559 1.764 1.00 51.34 N ATOM 0 H LYS A 71 10.732 -6.279 -3.295 1.00 2.13 H new ATOM 0 HA LYS A 71 13.170 -7.200 -2.196 1.00 10.44 H new ATOM 0 HB2 LYS A 71 10.656 -8.218 -2.712 1.00 25.22 H new ATOM 0 HB3 LYS A 71 11.572 -8.961 -4.008 1.00 25.22 H new ATOM 0 HG2 LYS A 71 11.481 -10.445 -2.065 1.00 22.45 H new ATOM 0 HG3 LYS A 71 13.133 -9.950 -2.372 1.00 22.45 H new ATOM 0 HD2 LYS A 71 13.088 -8.341 -0.587 1.00 22.30 H new ATOM 0 HD3 LYS A 71 11.348 -8.469 -0.419 1.00 22.30 H new ATOM 0 HE2 LYS A 71 11.645 -10.872 0.284 1.00 72.55 H new ATOM 0 HE3 LYS A 71 13.381 -10.635 0.232 1.00 72.55 H new ATOM 0 HZ1 LYS A 71 12.366 -10.333 2.459 1.00 51.34 H new ATOM 0 HZ2 LYS A 71 13.244 -8.981 1.924 1.00 51.34 H new ATOM 0 HZ3 LYS A 71 11.547 -8.966 1.872 1.00 51.34 H new ATOM 1128 N LYS A 72 13.153 -6.775 -5.409 1.00 71.23 N ATOM 1129 CA LYS A 72 13.971 -6.815 -6.628 1.00 14.52 C ATOM 1130 C LYS A 72 15.370 -6.211 -6.402 1.00 14.23 C ATOM 1131 O LYS A 72 16.375 -6.780 -6.834 1.00 31.42 O ATOM 1132 CB LYS A 72 13.255 -6.076 -7.767 1.00 14.35 C ATOM 1133 CG LYS A 72 13.869 -6.322 -9.139 1.00 4.34 C ATOM 1134 CD LYS A 72 13.733 -7.779 -9.556 1.00 44.33 C ATOM 1135 CE LYS A 72 14.430 -8.061 -10.877 1.00 72.04 C ATOM 1136 NZ LYS A 72 13.853 -7.278 -11.996 1.00 51.34 N ATOM 0 H LYS A 72 12.306 -6.214 -5.497 1.00 71.23 H new ATOM 0 HA LYS A 72 14.105 -7.862 -6.901 1.00 14.52 H new ATOM 0 HB2 LYS A 72 12.209 -6.383 -7.787 1.00 14.35 H new ATOM 0 HB3 LYS A 72 13.269 -5.006 -7.559 1.00 14.35 H new ATOM 0 HG2 LYS A 72 13.382 -5.684 -9.877 1.00 4.34 H new ATOM 0 HG3 LYS A 72 14.923 -6.044 -9.123 1.00 4.34 H new ATOM 0 HD2 LYS A 72 14.154 -8.419 -8.780 1.00 44.33 H new ATOM 0 HD3 LYS A 72 12.677 -8.034 -9.642 1.00 44.33 H new ATOM 0 HE2 LYS A 72 15.491 -7.828 -10.783 1.00 72.04 H new ATOM 0 HE3 LYS A 72 14.356 -9.124 -11.105 1.00 72.04 H new ATOM 0 HZ1 LYS A 72 14.290 -7.577 -12.891 1.00 51.34 H new ATOM 0 HZ2 LYS A 72 12.827 -7.441 -12.041 1.00 51.34 H new ATOM 0 HZ3 LYS A 72 14.037 -6.266 -11.842 1.00 51.34 H new ATOM 1150 N GLU A 73 15.425 -5.082 -5.702 1.00 24.54 N ATOM 1151 CA GLU A 73 16.695 -4.434 -5.393 1.00 4.13 C ATOM 1152 C GLU A 73 17.062 -4.638 -3.907 1.00 65.22 C ATOM 1153 O GLU A 73 18.065 -4.101 -3.432 1.00 63.31 O ATOM 1154 CB GLU A 73 16.610 -2.948 -5.757 1.00 73.51 C ATOM 1155 CG GLU A 73 17.963 -2.299 -6.007 1.00 14.43 C ATOM 1156 CD GLU A 73 17.847 -0.887 -6.515 1.00 44.42 C ATOM 1157 OE1 GLU A 73 17.712 -0.711 -7.741 1.00 2.00 O ATOM 1158 OE2 GLU A 73 17.907 0.051 -5.700 1.00 62.34 O ATOM 0 H GLU A 73 14.605 -4.597 -5.338 1.00 24.54 H new ATOM 0 HA GLU A 73 17.490 -4.888 -5.985 1.00 4.13 H new ATOM 0 HB2 GLU A 73 15.994 -2.837 -6.649 1.00 73.51 H new ATOM 0 HB3 GLU A 73 16.105 -2.415 -4.952 1.00 73.51 H new ATOM 0 HG2 GLU A 73 18.539 -2.301 -5.081 1.00 14.43 H new ATOM 0 HG3 GLU A 73 18.519 -2.896 -6.730 1.00 14.43 H new ATOM 1165 N ASN A 74 16.241 -5.448 -3.209 1.00 71.22 N ATOM 1166 CA ASN A 74 16.435 -5.824 -1.790 1.00 52.11 C ATOM 1167 C ASN A 74 16.498 -4.619 -0.849 1.00 24.54 C ATOM 1168 O ASN A 74 17.584 -4.248 -0.387 1.00 74.13 O ATOM 1169 CB ASN A 74 17.701 -6.678 -1.592 1.00 40.20 C ATOM 1170 CG ASN A 74 17.610 -8.073 -2.166 1.00 4.51 C ATOM 1171 OD1 ASN A 74 16.546 -8.681 -2.197 1.00 72.40 O ATOM 1172 ND2 ASN A 74 18.736 -8.586 -2.631 1.00 54.25 N ATOM 0 H ASN A 74 15.408 -5.868 -3.622 1.00 71.22 H new ATOM 0 HA ASN A 74 15.553 -6.410 -1.531 1.00 52.11 H new ATOM 0 HB2 ASN A 74 18.546 -6.164 -2.050 1.00 40.20 H new ATOM 0 HB3 ASN A 74 17.912 -6.750 -0.525 1.00 40.20 H new ATOM 0 HD21 ASN A 74 18.741 -9.522 -3.035 1.00 54.25 H new ATOM 0 HD22 ASN A 74 19.600 -8.045 -2.586 1.00 54.25 H new ATOM 1179 N GLY A 75 15.368 -3.969 -0.590 1.00 40.05 N ATOM 1180 CA GLY A 75 15.366 -2.880 0.365 1.00 22.01 C ATOM 1181 C GLY A 75 15.293 -1.536 -0.323 1.00 41.24 C ATOM 1182 O GLY A 75 15.905 -0.569 0.120 1.00 60.41 O ATOM 0 H GLY A 75 14.465 -4.174 -1.019 1.00 40.05 H new ATOM 0 HA2 GLY A 75 14.518 -2.990 1.041 1.00 22.01 H new ATOM 0 HA3 GLY A 75 16.268 -2.929 0.975 1.00 22.01 H new ATOM 1186 N ALA A 76 14.540 -1.491 -1.416 1.00 30.12 N ATOM 1187 CA ALA A 76 14.384 -0.284 -2.209 1.00 21.25 C ATOM 1188 C ALA A 76 13.112 0.467 -1.814 1.00 71.12 C ATOM 1189 O ALA A 76 12.097 -0.153 -1.494 1.00 32.55 O ATOM 1190 CB ALA A 76 14.363 -0.656 -3.683 1.00 32.03 C ATOM 0 H ALA A 76 14.021 -2.293 -1.775 1.00 30.12 H new ATOM 0 HA ALA A 76 15.226 0.382 -2.021 1.00 21.25 H new ATOM 0 HB1 ALA A 76 14.246 0.246 -4.284 1.00 32.03 H new ATOM 0 HB2 ALA A 76 15.298 -1.149 -3.947 1.00 32.03 H new ATOM 0 HB3 ALA A 76 13.529 -1.331 -3.876 1.00 32.03 H new ATOM 1196 N VAL A 77 13.179 1.800 -1.833 1.00 32.54 N ATOM 1197 CA VAL A 77 12.050 2.647 -1.436 1.00 2.34 C ATOM 1198 C VAL A 77 11.102 2.838 -2.633 1.00 24.10 C ATOM 1199 O VAL A 77 10.215 2.011 -2.853 1.00 1.45 O ATOM 1200 CB VAL A 77 12.523 4.021 -0.867 1.00 71.13 C ATOM 1201 CG1 VAL A 77 11.401 4.716 -0.115 1.00 60.35 C ATOM 1202 CG2 VAL A 77 13.735 3.862 0.044 1.00 12.15 C ATOM 0 H VAL A 77 14.008 2.320 -2.121 1.00 32.54 H new ATOM 0 HA VAL A 77 11.512 2.145 -0.632 1.00 2.34 H new ATOM 0 HB VAL A 77 12.812 4.638 -1.718 1.00 71.13 H new ATOM 0 HG11 VAL A 77 11.758 5.671 0.271 1.00 60.35 H new ATOM 0 HG12 VAL A 77 10.563 4.888 -0.790 1.00 60.35 H new ATOM 0 HG13 VAL A 77 11.076 4.088 0.715 1.00 60.35 H new ATOM 0 HG21 VAL A 77 14.037 4.839 0.422 1.00 12.15 H new ATOM 0 HG22 VAL A 77 13.478 3.213 0.881 1.00 12.15 H new ATOM 0 HG23 VAL A 77 14.558 3.421 -0.519 1.00 12.15 H new ATOM 1212 N ALA A 78 11.306 3.894 -3.419 1.00 14.54 N ATOM 1213 CA ALA A 78 10.500 4.139 -4.609 1.00 3.02 C ATOM 1214 C ALA A 78 11.340 4.805 -5.690 1.00 23.44 C ATOM 1215 O ALA A 78 11.574 6.016 -5.660 1.00 44.44 O ATOM 1216 CB ALA A 78 9.280 4.989 -4.272 1.00 40.44 C ATOM 0 H ALA A 78 12.027 4.596 -3.250 1.00 14.54 H new ATOM 0 HA ALA A 78 10.147 3.180 -4.988 1.00 3.02 H new ATOM 0 HB1 ALA A 78 8.694 5.159 -5.175 1.00 40.44 H new ATOM 0 HB2 ALA A 78 8.668 4.470 -3.534 1.00 40.44 H new ATOM 0 HB3 ALA A 78 9.605 5.947 -3.865 1.00 40.44 H new ATOM 1222 N SER A 79 11.789 4.009 -6.650 1.00 23.23 N ATOM 1223 CA SER A 79 12.681 4.484 -7.704 1.00 62.23 C ATOM 1224 C SER A 79 11.899 4.885 -8.963 1.00 62.13 C ATOM 1225 O SER A 79 12.303 4.589 -10.089 1.00 63.04 O ATOM 1226 CB SER A 79 13.695 3.381 -8.015 1.00 24.21 C ATOM 1227 OG SER A 79 14.381 2.995 -6.837 1.00 52.31 O ATOM 0 H SER A 79 11.548 3.020 -6.722 1.00 23.23 H new ATOM 0 HA SER A 79 13.202 5.378 -7.361 1.00 62.23 H new ATOM 0 HB2 SER A 79 13.184 2.519 -8.445 1.00 24.21 H new ATOM 0 HB3 SER A 79 14.408 3.733 -8.760 1.00 24.21 H new ATOM 0 HG SER A 79 15.025 2.288 -7.050 1.00 52.31 H new ATOM 1233 N ILE A 80 10.789 5.593 -8.758 1.00 25.15 N ATOM 1234 CA ILE A 80 9.897 5.980 -9.848 1.00 30.14 C ATOM 1235 C ILE A 80 9.332 7.400 -9.630 1.00 44.45 C ATOM 1236 O ILE A 80 9.468 8.248 -10.519 1.00 15.34 O ATOM 1237 CB ILE A 80 8.754 4.928 -10.053 1.00 5.24 C ATOM 1238 CG1 ILE A 80 7.707 5.435 -11.069 1.00 63.44 C ATOM 1239 CG2 ILE A 80 8.110 4.522 -8.723 1.00 64.43 C ATOM 1240 CD1 ILE A 80 6.538 4.507 -11.315 1.00 64.32 C ATOM 0 H ILE A 80 10.485 5.912 -7.838 1.00 25.15 H new ATOM 0 HA ILE A 80 10.485 6.000 -10.766 1.00 30.14 H new ATOM 0 HB ILE A 80 9.206 4.028 -10.471 1.00 5.24 H new ATOM 0 HG12 ILE A 80 7.321 6.393 -10.720 1.00 63.44 H new ATOM 0 HG13 ILE A 80 8.208 5.620 -12.019 1.00 63.44 H new ATOM 0 HG21 ILE A 80 7.322 3.792 -8.908 1.00 64.43 H new ATOM 0 HG22 ILE A 80 8.866 4.083 -8.072 1.00 64.43 H new ATOM 0 HG23 ILE A 80 7.683 5.402 -8.242 1.00 64.43 H new ATOM 0 HD11 ILE A 80 5.863 4.957 -12.043 1.00 64.32 H new ATOM 0 HD12 ILE A 80 6.904 3.555 -11.699 1.00 64.32 H new ATOM 0 HD13 ILE A 80 6.003 4.339 -10.380 1.00 64.32 H new ATOM 1252 N ASN A 81 8.748 7.640 -8.423 1.00 55.33 N ATOM 1253 CA ASN A 81 7.998 8.870 -8.054 1.00 13.13 C ATOM 1254 C ASN A 81 6.650 8.955 -8.796 1.00 23.11 C ATOM 1255 O ASN A 81 6.518 8.513 -9.931 1.00 2.41 O ATOM 1256 CB ASN A 81 8.818 10.153 -8.245 1.00 5.40 C ATOM 1257 CG ASN A 81 10.080 10.193 -7.404 1.00 2.23 C ATOM 1258 OD1 ASN A 81 10.064 10.637 -6.259 1.00 44.44 O ATOM 1259 ND2 ASN A 81 11.185 9.750 -7.979 1.00 64.41 N ATOM 0 H ASN A 81 8.788 6.964 -7.661 1.00 55.33 H new ATOM 0 HA ASN A 81 7.793 8.790 -6.986 1.00 13.13 H new ATOM 0 HB2 ASN A 81 9.088 10.249 -9.297 1.00 5.40 H new ATOM 0 HB3 ASN A 81 8.197 11.013 -7.995 1.00 5.40 H new ATOM 0 HD21 ASN A 81 12.068 9.769 -7.469 1.00 64.41 H new ATOM 0 HD22 ASN A 81 11.154 9.389 -8.933 1.00 64.41 H new ATOM 1266 N TYR A 82 5.635 9.529 -8.153 1.00 5.40 N ATOM 1267 CA TYR A 82 4.264 9.397 -8.659 1.00 70.34 C ATOM 1268 C TYR A 82 3.736 10.635 -9.402 1.00 52.25 C ATOM 1269 O TYR A 82 2.609 10.616 -9.900 1.00 42.21 O ATOM 1270 CB TYR A 82 3.297 8.973 -7.537 1.00 22.13 C ATOM 1271 CG TYR A 82 3.230 9.883 -6.322 1.00 13.01 C ATOM 1272 CD1 TYR A 82 4.064 9.683 -5.231 1.00 62.54 C ATOM 1273 CD2 TYR A 82 2.318 10.928 -6.259 1.00 63.21 C ATOM 1274 CE1 TYR A 82 3.994 10.497 -4.120 1.00 24.40 C ATOM 1275 CE2 TYR A 82 2.245 11.746 -5.154 1.00 10.45 C ATOM 1276 CZ TYR A 82 3.084 11.527 -4.090 1.00 2.21 C ATOM 1277 OH TYR A 82 3.008 12.340 -2.982 1.00 14.44 O ATOM 0 H TYR A 82 5.728 10.079 -7.299 1.00 5.40 H new ATOM 0 HA TYR A 82 4.311 8.608 -9.410 1.00 70.34 H new ATOM 0 HB2 TYR A 82 2.296 8.895 -7.961 1.00 22.13 H new ATOM 0 HB3 TYR A 82 3.580 7.975 -7.201 1.00 22.13 H new ATOM 0 HD1 TYR A 82 4.781 8.875 -5.252 1.00 62.54 H new ATOM 0 HD2 TYR A 82 1.653 11.102 -7.092 1.00 63.21 H new ATOM 0 HE1 TYR A 82 4.650 10.326 -3.279 1.00 24.40 H new ATOM 0 HE2 TYR A 82 1.531 12.556 -5.125 1.00 10.45 H new ATOM 0 HH TYR A 82 2.315 13.019 -3.121 1.00 14.44 H new ATOM 1287 N LYS A 83 4.516 11.705 -9.493 1.00 54.31 N ATOM 1288 CA LYS A 83 4.049 12.893 -10.215 1.00 25.11 C ATOM 1289 C LYS A 83 4.893 13.172 -11.453 1.00 24.11 C ATOM 1290 O LYS A 83 4.400 13.752 -12.420 1.00 30.04 O ATOM 1291 CB LYS A 83 3.999 14.129 -9.307 1.00 41.44 C ATOM 1292 CG LYS A 83 3.062 13.962 -8.121 1.00 11.42 C ATOM 1293 CD LYS A 83 2.433 15.272 -7.681 1.00 72.01 C ATOM 1294 CE LYS A 83 1.420 15.766 -8.701 1.00 33.34 C ATOM 1295 NZ LYS A 83 0.718 16.988 -8.251 1.00 52.35 N ATOM 0 H LYS A 83 5.450 11.781 -9.090 1.00 54.31 H new ATOM 0 HA LYS A 83 3.033 12.677 -10.544 1.00 25.11 H new ATOM 0 HB2 LYS A 83 5.003 14.344 -8.941 1.00 41.44 H new ATOM 0 HB3 LYS A 83 3.682 14.991 -9.894 1.00 41.44 H new ATOM 0 HG2 LYS A 83 2.274 13.255 -8.382 1.00 11.42 H new ATOM 0 HG3 LYS A 83 3.613 13.530 -7.286 1.00 11.42 H new ATOM 0 HD2 LYS A 83 1.945 15.138 -6.716 1.00 72.01 H new ATOM 0 HD3 LYS A 83 3.210 16.024 -7.543 1.00 72.01 H new ATOM 0 HE2 LYS A 83 1.927 15.968 -9.644 1.00 33.34 H new ATOM 0 HE3 LYS A 83 0.689 14.980 -8.894 1.00 33.34 H new ATOM 0 HZ1 LYS A 83 0.038 17.286 -8.979 1.00 52.35 H new ATOM 0 HZ2 LYS A 83 0.211 16.791 -7.365 1.00 52.35 H new ATOM 0 HZ3 LYS A 83 1.410 17.748 -8.092 1.00 52.35 H new ATOM 1309 N LYS A 84 6.156 12.749 -11.430 1.00 52.43 N ATOM 1310 CA LYS A 84 7.041 12.925 -12.580 1.00 21.30 C ATOM 1311 C LYS A 84 6.937 11.748 -13.550 1.00 63.45 C ATOM 1312 O LYS A 84 7.371 11.849 -14.692 1.00 72.25 O ATOM 1313 CB LYS A 84 8.500 13.124 -12.146 1.00 24.53 C ATOM 1314 CG LYS A 84 9.086 11.969 -11.342 1.00 5.04 C ATOM 1315 CD LYS A 84 10.568 12.160 -11.059 1.00 5.31 C ATOM 1316 CE LYS A 84 10.839 13.429 -10.257 1.00 54.12 C ATOM 1317 NZ LYS A 84 12.273 13.591 -9.937 1.00 12.32 N ATOM 0 H LYS A 84 6.588 12.284 -10.631 1.00 52.43 H new ATOM 0 HA LYS A 84 6.713 13.827 -13.096 1.00 21.30 H new ATOM 0 HB2 LYS A 84 9.112 13.278 -13.035 1.00 24.53 H new ATOM 0 HB3 LYS A 84 8.567 14.035 -11.551 1.00 24.53 H new ATOM 0 HG2 LYS A 84 8.547 11.874 -10.399 1.00 5.04 H new ATOM 0 HG3 LYS A 84 8.939 11.037 -11.888 1.00 5.04 H new ATOM 0 HD2 LYS A 84 10.946 11.297 -10.511 1.00 5.31 H new ATOM 0 HD3 LYS A 84 11.114 12.203 -12.001 1.00 5.31 H new ATOM 0 HE2 LYS A 84 10.495 14.295 -10.823 1.00 54.12 H new ATOM 0 HE3 LYS A 84 10.263 13.402 -9.332 1.00 54.12 H new ATOM 0 HZ1 LYS A 84 12.410 14.466 -9.392 1.00 12.32 H new ATOM 0 HZ2 LYS A 84 12.597 12.778 -9.375 1.00 12.32 H new ATOM 0 HZ3 LYS A 84 12.822 13.643 -10.819 1.00 12.32 H new ATOM 1331 N ALA A 85 6.360 10.641 -13.096 1.00 2.43 N ATOM 1332 CA ALA A 85 6.197 9.477 -13.945 1.00 41.13 C ATOM 1333 C ALA A 85 4.791 9.438 -14.507 1.00 21.14 C ATOM 1334 O ALA A 85 3.817 9.758 -13.805 1.00 12.12 O ATOM 1335 CB ALA A 85 6.499 8.196 -13.192 1.00 52.41 C ATOM 0 H ALA A 85 6.000 10.530 -12.148 1.00 2.43 H new ATOM 0 HA ALA A 85 6.909 9.555 -14.766 1.00 41.13 H new ATOM 0 HB1 ALA A 85 6.367 7.343 -13.858 1.00 52.41 H new ATOM 0 HB2 ALA A 85 7.527 8.220 -12.832 1.00 52.41 H new ATOM 0 HB3 ALA A 85 5.820 8.103 -12.345 1.00 52.41 H new ATOM 1341 N SER A 86 4.697 9.044 -15.772 1.00 61.14 N ATOM 1342 CA SER A 86 3.437 8.962 -16.498 1.00 65.21 C ATOM 1343 C SER A 86 2.601 7.756 -16.017 1.00 50.04 C ATOM 1344 O SER A 86 3.030 6.981 -15.155 1.00 32.40 O ATOM 1345 CB SER A 86 3.751 8.868 -18.007 1.00 73.14 C ATOM 1346 OG SER A 86 2.615 9.092 -18.822 1.00 75.11 O ATOM 0 H SER A 86 5.506 8.769 -16.329 1.00 61.14 H new ATOM 0 HA SER A 86 2.839 9.853 -16.308 1.00 65.21 H new ATOM 0 HB2 SER A 86 4.522 9.597 -18.259 1.00 73.14 H new ATOM 0 HB3 SER A 86 4.161 7.882 -18.227 1.00 73.14 H new ATOM 0 HG SER A 86 2.871 9.023 -19.766 1.00 75.11 H new ATOM 1352 N ALA A 87 1.424 7.595 -16.608 1.00 23.45 N ATOM 1353 CA ALA A 87 0.509 6.521 -16.240 1.00 41.23 C ATOM 1354 C ALA A 87 0.960 5.204 -16.874 1.00 43.42 C ATOM 1355 O ALA A 87 0.745 4.126 -16.319 1.00 45.42 O ATOM 1356 CB ALA A 87 -0.907 6.867 -16.658 1.00 25.44 C ATOM 0 H ALA A 87 1.078 8.201 -17.352 1.00 23.45 H new ATOM 0 HA ALA A 87 0.522 6.402 -15.157 1.00 41.23 H new ATOM 0 HB1 ALA A 87 -1.578 6.056 -16.376 1.00 25.44 H new ATOM 0 HB2 ALA A 87 -1.219 7.785 -16.160 1.00 25.44 H new ATOM 0 HB3 ALA A 87 -0.943 7.009 -17.738 1.00 25.44 H new ATOM 1362 N ASP A 88 1.621 5.321 -18.033 1.00 50.00 N ATOM 1363 CA ASP A 88 2.185 4.177 -18.748 1.00 65.24 C ATOM 1364 C ASP A 88 3.500 3.724 -18.115 1.00 1.14 C ATOM 1365 O ASP A 88 3.789 2.529 -18.066 1.00 44.52 O ATOM 1366 CB ASP A 88 2.421 4.530 -20.216 1.00 71.21 C ATOM 1367 CG ASP A 88 1.151 4.928 -20.923 1.00 74.21 C ATOM 1368 OD1 ASP A 88 0.457 4.044 -21.462 1.00 43.43 O ATOM 1369 OD2 ASP A 88 0.835 6.131 -20.936 1.00 12.11 O ATOM 0 H ASP A 88 1.778 6.215 -18.499 1.00 50.00 H new ATOM 0 HA ASP A 88 1.467 3.359 -18.683 1.00 65.24 H new ATOM 0 HB2 ASP A 88 3.140 5.347 -20.279 1.00 71.21 H new ATOM 0 HB3 ASP A 88 2.865 3.675 -20.726 1.00 71.21 H new ATOM 1374 N GLU A 89 4.284 4.703 -17.626 1.00 51.44 N ATOM 1375 CA GLU A 89 5.587 4.447 -16.980 1.00 74.25 C ATOM 1376 C GLU A 89 5.403 3.829 -15.596 1.00 33.01 C ATOM 1377 O GLU A 89 6.268 3.102 -15.104 1.00 43.32 O ATOM 1378 CB GLU A 89 6.394 5.741 -16.859 1.00 51.42 C ATOM 1379 CG GLU A 89 6.586 6.454 -18.180 1.00 25.03 C ATOM 1380 CD GLU A 89 7.518 7.631 -18.068 1.00 21.21 C ATOM 1381 OE1 GLU A 89 7.099 8.682 -17.547 1.00 3.03 O ATOM 1382 OE2 GLU A 89 8.671 7.514 -18.515 1.00 24.44 O ATOM 0 H GLU A 89 4.034 5.691 -17.667 1.00 51.44 H new ATOM 0 HA GLU A 89 6.132 3.743 -17.608 1.00 74.25 H new ATOM 0 HB2 GLU A 89 5.890 6.411 -16.163 1.00 51.42 H new ATOM 0 HB3 GLU A 89 7.371 5.513 -16.432 1.00 51.42 H new ATOM 0 HG2 GLU A 89 6.979 5.752 -18.915 1.00 25.03 H new ATOM 0 HG3 GLU A 89 5.619 6.794 -18.550 1.00 25.03 H new ATOM 1389 N LEU A 90 4.257 4.141 -14.992 1.00 51.02 N ATOM 1390 CA LEU A 90 3.808 3.553 -13.737 1.00 11.40 C ATOM 1391 C LEU A 90 3.608 2.037 -13.869 1.00 33.34 C ATOM 1392 O LEU A 90 3.965 1.263 -12.976 1.00 30.50 O ATOM 1393 CB LEU A 90 2.491 4.210 -13.357 1.00 64.01 C ATOM 1394 CG LEU A 90 1.903 3.768 -12.039 1.00 1.20 C ATOM 1395 CD1 LEU A 90 2.692 4.356 -10.879 1.00 25.55 C ATOM 1396 CD2 LEU A 90 0.447 4.160 -11.984 1.00 61.02 C ATOM 0 H LEU A 90 3.603 4.825 -15.372 1.00 51.02 H new ATOM 0 HA LEU A 90 4.565 3.720 -12.970 1.00 11.40 H new ATOM 0 HB2 LEU A 90 2.639 5.289 -13.326 1.00 64.01 H new ATOM 0 HB3 LEU A 90 1.764 4.011 -14.145 1.00 64.01 H new ATOM 0 HG LEU A 90 1.969 2.683 -11.953 1.00 1.20 H new ATOM 0 HD11 LEU A 90 2.254 4.027 -9.937 1.00 25.55 H new ATOM 0 HD12 LEU A 90 3.727 4.019 -10.935 1.00 25.55 H new ATOM 0 HD13 LEU A 90 2.661 5.444 -10.933 1.00 25.55 H new ATOM 0 HD21 LEU A 90 0.020 3.842 -11.033 1.00 61.02 H new ATOM 0 HD22 LEU A 90 0.358 5.242 -12.078 1.00 61.02 H new ATOM 0 HD23 LEU A 90 -0.090 3.680 -12.802 1.00 61.02 H new ATOM 1408 N HIS A 91 3.053 1.629 -15.011 1.00 64.55 N ATOM 1409 CA HIS A 91 2.808 0.221 -15.309 1.00 14.04 C ATOM 1410 C HIS A 91 4.101 -0.493 -15.733 1.00 22.44 C ATOM 1411 O HIS A 91 4.225 -1.700 -15.552 1.00 43.24 O ATOM 1412 CB HIS A 91 1.722 0.092 -16.394 1.00 43.33 C ATOM 1413 CG HIS A 91 0.306 0.173 -15.872 1.00 2.25 C ATOM 1414 ND1 HIS A 91 -0.676 -0.726 -16.237 1.00 53.31 N ATOM 1415 CD2 HIS A 91 -0.295 1.044 -15.019 1.00 13.23 C ATOM 1416 CE1 HIS A 91 -1.807 -0.422 -15.628 1.00 51.35 C ATOM 1417 NE2 HIS A 91 -1.606 0.647 -14.885 1.00 64.00 N ATOM 0 H HIS A 91 2.762 2.266 -15.753 1.00 64.55 H new ATOM 0 HA HIS A 91 2.452 -0.266 -14.401 1.00 14.04 H new ATOM 0 HB2 HIS A 91 1.869 0.879 -17.134 1.00 43.33 H new ATOM 0 HB3 HIS A 91 1.852 -0.859 -16.910 1.00 43.33 H new ATOM 0 HD1 HIS A 91 -0.547 -1.507 -16.880 1.00 53.31 H new ATOM 0 HD2 HIS A 91 0.170 1.891 -14.536 1.00 13.23 H new ATOM 0 HE1 HIS A 91 -2.739 -0.959 -15.723 1.00 51.35 H new ATOM 1426 N ALA A 92 5.078 0.269 -16.246 1.00 41.04 N ATOM 1427 CA ALA A 92 6.384 -0.282 -16.632 1.00 0.33 C ATOM 1428 C ALA A 92 7.263 -0.584 -15.406 1.00 51.35 C ATOM 1429 O ALA A 92 8.107 -1.478 -15.444 1.00 73.30 O ATOM 1430 CB ALA A 92 7.100 0.675 -17.571 1.00 5.45 C ATOM 0 H ALA A 92 4.987 1.273 -16.403 1.00 41.04 H new ATOM 0 HA ALA A 92 6.205 -1.225 -17.148 1.00 0.33 H new ATOM 0 HB1 ALA A 92 8.067 0.256 -17.850 1.00 5.45 H new ATOM 0 HB2 ALA A 92 6.497 0.825 -18.467 1.00 5.45 H new ATOM 0 HB3 ALA A 92 7.250 1.632 -17.070 1.00 5.45 H new ATOM 1436 N TYR A 93 7.044 0.167 -14.321 1.00 63.11 N ATOM 1437 CA TYR A 93 7.706 -0.080 -13.033 1.00 23.24 C ATOM 1438 C TYR A 93 7.091 -1.312 -12.352 1.00 34.34 C ATOM 1439 O TYR A 93 7.760 -2.029 -11.605 1.00 15.30 O ATOM 1440 CB TYR A 93 7.575 1.156 -12.136 1.00 54.25 C ATOM 1441 CG TYR A 93 8.388 1.111 -10.850 1.00 71.30 C ATOM 1442 CD1 TYR A 93 9.747 1.403 -10.856 1.00 34.50 C ATOM 1443 CD2 TYR A 93 7.791 0.792 -9.631 1.00 0.13 C ATOM 1444 CE1 TYR A 93 10.488 1.378 -9.688 1.00 71.41 C ATOM 1445 CE2 TYR A 93 8.526 0.770 -8.460 1.00 1.22 C ATOM 1446 CZ TYR A 93 9.873 1.061 -8.493 1.00 43.14 C ATOM 1447 OH TYR A 93 10.607 1.053 -7.326 1.00 13.42 O ATOM 0 H TYR A 93 6.405 0.962 -14.310 1.00 63.11 H new ATOM 0 HA TYR A 93 8.765 -0.275 -13.205 1.00 23.24 H new ATOM 0 HB2 TYR A 93 7.877 2.034 -12.707 1.00 54.25 H new ATOM 0 HB3 TYR A 93 6.524 1.289 -11.879 1.00 54.25 H new ATOM 0 HD1 TYR A 93 10.232 1.653 -11.788 1.00 34.50 H new ATOM 0 HD2 TYR A 93 6.737 0.558 -9.601 1.00 0.13 H new ATOM 0 HE1 TYR A 93 11.544 1.606 -9.711 1.00 71.41 H new ATOM 0 HE2 TYR A 93 8.047 0.526 -7.523 1.00 1.22 H new ATOM 0 HH TYR A 93 10.025 0.811 -6.575 1.00 13.42 H new ATOM 1457 N PHE A 94 5.812 -1.548 -12.645 1.00 53.23 N ATOM 1458 CA PHE A 94 5.088 -2.698 -12.114 1.00 41.13 C ATOM 1459 C PHE A 94 5.539 -3.973 -12.844 1.00 23.33 C ATOM 1460 O PHE A 94 5.562 -5.066 -12.268 1.00 14.31 O ATOM 1461 CB PHE A 94 3.575 -2.494 -12.270 1.00 71.12 C ATOM 1462 CG PHE A 94 2.767 -3.355 -11.348 1.00 4.34 C ATOM 1463 CD1 PHE A 94 2.548 -2.952 -10.049 1.00 41.05 C ATOM 1464 CD2 PHE A 94 2.243 -4.567 -11.767 1.00 10.31 C ATOM 1465 CE1 PHE A 94 1.830 -3.738 -9.183 1.00 1.31 C ATOM 1466 CE2 PHE A 94 1.518 -5.359 -10.900 1.00 55.34 C ATOM 1467 CZ PHE A 94 1.313 -4.940 -9.604 1.00 32.13 C ATOM 0 H PHE A 94 5.253 -0.950 -13.254 1.00 53.23 H new ATOM 0 HA PHE A 94 5.310 -2.801 -11.052 1.00 41.13 H new ATOM 0 HB2 PHE A 94 3.335 -1.447 -12.084 1.00 71.12 H new ATOM 0 HB3 PHE A 94 3.290 -2.708 -13.300 1.00 71.12 H new ATOM 0 HD1 PHE A 94 2.946 -2.007 -9.708 1.00 41.05 H new ATOM 0 HD2 PHE A 94 2.404 -4.896 -12.783 1.00 10.31 H new ATOM 0 HE1 PHE A 94 1.670 -3.411 -8.166 1.00 1.31 H new ATOM 0 HE2 PHE A 94 1.114 -6.302 -11.236 1.00 55.34 H new ATOM 0 HZ PHE A 94 0.747 -5.555 -8.920 1.00 32.13 H new ATOM 1477 N ALA A 95 5.971 -3.789 -14.097 1.00 12.31 N ATOM 1478 CA ALA A 95 6.443 -4.874 -14.949 1.00 61.22 C ATOM 1479 C ALA A 95 7.899 -5.264 -14.657 1.00 52.15 C ATOM 1480 O ALA A 95 8.466 -6.107 -15.353 1.00 22.12 O ATOM 1481 CB ALA A 95 6.288 -4.477 -16.408 1.00 10.34 C ATOM 0 H ALA A 95 6.001 -2.874 -14.547 1.00 12.31 H new ATOM 0 HA ALA A 95 5.833 -5.751 -14.733 1.00 61.22 H new ATOM 0 HB1 ALA A 95 6.641 -5.288 -17.045 1.00 10.34 H new ATOM 0 HB2 ALA A 95 5.238 -4.278 -16.621 1.00 10.34 H new ATOM 0 HB3 ALA A 95 6.874 -3.579 -16.605 1.00 10.34 H new ATOM 1487 N GLU A 96 8.497 -4.664 -13.617 1.00 62.53 N ATOM 1488 CA GLU A 96 9.853 -5.005 -13.200 1.00 31.05 C ATOM 1489 C GLU A 96 9.873 -6.356 -12.485 1.00 44.34 C ATOM 1490 O GLU A 96 10.844 -7.108 -12.572 1.00 31.40 O ATOM 1491 CB GLU A 96 10.403 -3.917 -12.275 1.00 1.13 C ATOM 1492 CG GLU A 96 11.670 -3.251 -12.783 1.00 14.43 C ATOM 1493 CD GLU A 96 12.862 -4.185 -12.793 1.00 72.31 C ATOM 1494 OE1 GLU A 96 13.552 -4.279 -11.764 1.00 13.14 O ATOM 1495 OE2 GLU A 96 13.104 -4.841 -13.825 1.00 23.54 O ATOM 0 H GLU A 96 8.056 -3.939 -13.052 1.00 62.53 H new ATOM 0 HA GLU A 96 10.482 -5.074 -14.088 1.00 31.05 H new ATOM 0 HB2 GLU A 96 9.637 -3.155 -12.133 1.00 1.13 H new ATOM 0 HB3 GLU A 96 10.603 -4.354 -11.297 1.00 1.13 H new ATOM 0 HG2 GLU A 96 11.499 -2.878 -13.793 1.00 14.43 H new ATOM 0 HG3 GLU A 96 11.896 -2.387 -12.158 1.00 14.43 H new ATOM 1502 N VAL A 97 8.788 -6.658 -11.777 1.00 2.45 N ATOM 1503 CA VAL A 97 8.677 -7.907 -11.036 1.00 52.22 C ATOM 1504 C VAL A 97 7.492 -8.745 -11.520 1.00 12.42 C ATOM 1505 O VAL A 97 7.509 -9.972 -11.405 1.00 23.21 O ATOM 1506 CB VAL A 97 8.574 -7.663 -9.508 1.00 41.34 C ATOM 1507 CG1 VAL A 97 9.857 -7.043 -8.982 1.00 40.12 C ATOM 1508 CG2 VAL A 97 7.388 -6.777 -9.161 1.00 73.23 C ATOM 0 H VAL A 97 7.972 -6.051 -11.702 1.00 2.45 H new ATOM 0 HA VAL A 97 9.593 -8.466 -11.228 1.00 52.22 H new ATOM 0 HB VAL A 97 8.422 -8.631 -9.031 1.00 41.34 H new ATOM 0 HG11 VAL A 97 9.768 -6.878 -7.908 1.00 40.12 H new ATOM 0 HG12 VAL A 97 10.693 -7.715 -9.178 1.00 40.12 H new ATOM 0 HG13 VAL A 97 10.032 -6.090 -9.482 1.00 40.12 H new ATOM 0 HG21 VAL A 97 7.348 -6.628 -8.082 1.00 73.23 H new ATOM 0 HG22 VAL A 97 7.497 -5.812 -9.656 1.00 73.23 H new ATOM 0 HG23 VAL A 97 6.467 -7.254 -9.496 1.00 73.23 H new ATOM 1518 N LEU A 98 6.466 -8.075 -12.054 1.00 31.40 N ATOM 1519 CA LEU A 98 5.299 -8.750 -12.601 1.00 51.23 C ATOM 1520 C LEU A 98 5.176 -8.463 -14.097 1.00 43.11 C ATOM 1521 O LEU A 98 4.631 -7.428 -14.481 1.00 75.24 O ATOM 1522 CB LEU A 98 3.995 -8.315 -11.887 1.00 30.04 C ATOM 1523 CG LEU A 98 3.533 -9.141 -10.664 1.00 62.05 C ATOM 1524 CD1 LEU A 98 3.514 -10.630 -10.975 1.00 55.03 C ATOM 1525 CD2 LEU A 98 4.374 -8.860 -9.430 1.00 21.41 C ATOM 0 H LEU A 98 6.427 -7.058 -12.116 1.00 31.40 H new ATOM 0 HA LEU A 98 5.437 -9.819 -12.438 1.00 51.23 H new ATOM 0 HB2 LEU A 98 4.118 -7.281 -11.566 1.00 30.04 H new ATOM 0 HB3 LEU A 98 3.191 -8.327 -12.622 1.00 30.04 H new ATOM 0 HG LEU A 98 2.514 -8.826 -10.442 1.00 62.05 H new ATOM 0 HD11 LEU A 98 3.185 -11.181 -10.094 1.00 55.03 H new ATOM 0 HD12 LEU A 98 2.828 -10.821 -11.800 1.00 55.03 H new ATOM 0 HD13 LEU A 98 4.516 -10.956 -11.254 1.00 55.03 H new ATOM 0 HD21 LEU A 98 4.012 -9.463 -8.598 1.00 21.41 H new ATOM 0 HD22 LEU A 98 5.415 -9.111 -9.634 1.00 21.41 H new ATOM 0 HD23 LEU A 98 4.300 -7.804 -9.172 1.00 21.41 H new ATOM 1537 N PRO A 99 5.712 -9.354 -14.973 1.00 53.10 N ATOM 1538 CA PRO A 99 5.463 -9.271 -16.416 1.00 63.33 C ATOM 1539 C PRO A 99 4.009 -9.623 -16.750 1.00 70.23 C ATOM 1540 O PRO A 99 3.430 -9.094 -17.697 1.00 62.24 O ATOM 1541 CB PRO A 99 6.436 -10.285 -17.023 1.00 73.50 C ATOM 1542 CG PRO A 99 6.756 -11.236 -15.923 1.00 33.30 C ATOM 1543 CD PRO A 99 6.618 -10.470 -14.636 1.00 62.23 C ATOM 0 HA PRO A 99 5.615 -8.265 -16.808 1.00 63.33 H new ATOM 0 HB2 PRO A 99 5.986 -10.802 -17.870 1.00 73.50 H new ATOM 0 HB3 PRO A 99 7.336 -9.793 -17.391 1.00 73.50 H new ATOM 0 HG2 PRO A 99 6.078 -12.090 -15.940 1.00 33.30 H new ATOM 0 HG3 PRO A 99 7.767 -11.629 -16.033 1.00 33.30 H new ATOM 0 HD2 PRO A 99 6.204 -11.094 -13.844 1.00 62.23 H new ATOM 0 HD3 PRO A 99 7.583 -10.107 -14.284 1.00 62.23 H new ATOM 1551 N ASN A 100 3.430 -10.513 -15.946 1.00 30.32 N ATOM 1552 CA ASN A 100 2.011 -10.764 -15.976 1.00 55.52 C ATOM 1553 C ASN A 100 1.319 -9.825 -14.999 1.00 51.30 C ATOM 1554 O ASN A 100 1.552 -9.873 -13.789 1.00 4.25 O ATOM 1555 CB ASN A 100 1.656 -12.248 -15.690 1.00 13.12 C ATOM 1556 CG ASN A 100 2.145 -12.812 -14.349 1.00 50.15 C ATOM 1557 OD1 ASN A 100 3.237 -12.502 -13.871 1.00 31.45 O ATOM 1558 ND2 ASN A 100 1.318 -13.638 -13.726 1.00 32.35 N ATOM 0 H ASN A 100 3.939 -11.073 -15.262 1.00 30.32 H new ATOM 0 HA ASN A 100 1.652 -10.568 -16.986 1.00 55.52 H new ATOM 0 HB2 ASN A 100 0.572 -12.356 -15.733 1.00 13.12 H new ATOM 0 HB3 ASN A 100 2.070 -12.860 -16.491 1.00 13.12 H new ATOM 0 HD21 ASN A 100 1.579 -14.037 -12.824 1.00 32.35 H new ATOM 0 HD22 ASN A 100 0.420 -13.875 -14.148 1.00 32.35 H new ATOM 1565 N TYR A 101 0.535 -8.917 -15.556 1.00 43.02 N ATOM 1566 CA TYR A 101 -0.288 -7.996 -14.784 1.00 33.34 C ATOM 1567 C TYR A 101 -1.420 -7.495 -15.669 1.00 1.54 C ATOM 1568 O TYR A 101 -1.423 -7.755 -16.875 1.00 11.13 O ATOM 1569 CB TYR A 101 0.549 -6.835 -14.188 1.00 32.45 C ATOM 1570 CG TYR A 101 1.094 -5.818 -15.173 1.00 31.22 C ATOM 1571 CD1 TYR A 101 2.056 -6.151 -16.122 1.00 1.23 C ATOM 1572 CD2 TYR A 101 0.647 -4.510 -15.129 1.00 24.13 C ATOM 1573 CE1 TYR A 101 2.545 -5.210 -17.001 1.00 73.14 C ATOM 1574 CE2 TYR A 101 1.130 -3.566 -15.999 1.00 41.24 C ATOM 1575 CZ TYR A 101 2.079 -3.918 -16.936 1.00 24.11 C ATOM 1576 OH TYR A 101 2.555 -2.975 -17.816 1.00 24.35 O ATOM 0 H TYR A 101 0.450 -8.796 -16.565 1.00 43.02 H new ATOM 0 HA TYR A 101 -0.713 -8.521 -13.928 1.00 33.34 H new ATOM 0 HB2 TYR A 101 -0.068 -6.308 -13.460 1.00 32.45 H new ATOM 0 HB3 TYR A 101 1.389 -7.265 -13.642 1.00 32.45 H new ATOM 0 HD1 TYR A 101 2.425 -7.165 -16.170 1.00 1.23 H new ATOM 0 HD2 TYR A 101 -0.095 -4.227 -14.397 1.00 24.13 H new ATOM 0 HE1 TYR A 101 3.288 -5.485 -17.735 1.00 73.14 H new ATOM 0 HE2 TYR A 101 0.768 -2.550 -15.950 1.00 41.24 H new ATOM 0 HH TYR A 101 3.249 -2.440 -17.378 1.00 24.35 H new ATOM 1586 N ASP A 102 -2.384 -6.799 -15.088 1.00 2.43 N ATOM 1587 CA ASP A 102 -3.540 -6.362 -15.850 1.00 11.15 C ATOM 1588 C ASP A 102 -3.489 -4.849 -16.090 1.00 11.44 C ATOM 1589 O ASP A 102 -2.651 -4.145 -15.526 1.00 4.21 O ATOM 1590 CB ASP A 102 -4.826 -6.770 -15.127 1.00 23.14 C ATOM 1591 CG ASP A 102 -5.982 -7.010 -16.076 1.00 61.51 C ATOM 1592 OD1 ASP A 102 -6.061 -8.107 -16.656 1.00 5.41 O ATOM 1593 OD2 ASP A 102 -6.813 -6.104 -16.247 1.00 73.21 O ATOM 0 H ASP A 102 -2.389 -6.528 -14.105 1.00 2.43 H new ATOM 0 HA ASP A 102 -3.528 -6.849 -16.825 1.00 11.15 H new ATOM 0 HB2 ASP A 102 -4.641 -7.676 -14.550 1.00 23.14 H new ATOM 0 HB3 ASP A 102 -5.101 -5.990 -14.417 1.00 23.14 H new ATOM 1598 N ARG A 103 -4.372 -4.366 -16.948 1.00 54.11 N ATOM 1599 CA ARG A 103 -4.433 -2.952 -17.295 1.00 42.32 C ATOM 1600 C ARG A 103 -5.749 -2.312 -16.854 1.00 71.33 C ATOM 1601 O ARG A 103 -5.918 -1.102 -16.961 1.00 44.42 O ATOM 1602 CB ARG A 103 -4.235 -2.777 -18.802 1.00 0.23 C ATOM 1603 CG ARG A 103 -5.154 -3.642 -19.655 1.00 52.13 C ATOM 1604 CD ARG A 103 -4.906 -3.420 -21.130 1.00 35.33 C ATOM 1605 NE ARG A 103 -5.691 -4.325 -21.968 1.00 43.41 N ATOM 1606 CZ ARG A 103 -5.919 -4.135 -23.267 1.00 44.24 C ATOM 1607 NH1 ARG A 103 -5.468 -3.050 -23.883 1.00 73.24 N ATOM 1608 NH2 ARG A 103 -6.602 -5.037 -23.946 1.00 15.21 N ATOM 0 H ARG A 103 -5.067 -4.941 -17.424 1.00 54.11 H new ATOM 0 HA ARG A 103 -3.630 -2.443 -16.762 1.00 42.32 H new ATOM 0 HB2 ARG A 103 -4.397 -1.730 -19.060 1.00 0.23 H new ATOM 0 HB3 ARG A 103 -3.200 -3.010 -19.051 1.00 0.23 H new ATOM 0 HG2 ARG A 103 -4.997 -4.693 -19.412 1.00 52.13 H new ATOM 0 HG3 ARG A 103 -6.193 -3.413 -19.420 1.00 52.13 H new ATOM 0 HD2 ARG A 103 -5.150 -2.389 -21.386 1.00 35.33 H new ATOM 0 HD3 ARG A 103 -3.846 -3.559 -21.343 1.00 35.33 H new ATOM 0 HE ARG A 103 -6.090 -5.155 -21.530 1.00 43.41 H new ATOM 0 HH11 ARG A 103 -4.940 -2.350 -23.362 1.00 73.24 H new ATOM 0 HH12 ARG A 103 -5.649 -2.916 -24.878 1.00 73.24 H new ATOM 0 HH21 ARG A 103 -6.951 -5.872 -23.476 1.00 15.21 H new ATOM 0 HH22 ARG A 103 -6.781 -4.899 -24.941 1.00 15.21 H new ATOM 1622 N ASP A 104 -6.674 -3.134 -16.363 1.00 41.53 N ATOM 1623 CA ASP A 104 -7.961 -2.651 -15.872 1.00 50.43 C ATOM 1624 C ASP A 104 -8.187 -3.103 -14.439 1.00 15.13 C ATOM 1625 O ASP A 104 -8.699 -2.349 -13.618 1.00 24.41 O ATOM 1626 CB ASP A 104 -9.109 -3.148 -16.755 1.00 62.22 C ATOM 1627 CG ASP A 104 -9.095 -2.524 -18.133 1.00 65.12 C ATOM 1628 OD1 ASP A 104 -9.529 -1.367 -18.268 1.00 50.34 O ATOM 1629 OD2 ASP A 104 -8.640 -3.185 -19.087 1.00 50.42 O ATOM 0 H ASP A 104 -6.554 -4.145 -16.295 1.00 41.53 H new ATOM 0 HA ASP A 104 -7.942 -1.562 -15.906 1.00 50.43 H new ATOM 0 HB2 ASP A 104 -9.046 -4.232 -16.850 1.00 62.22 H new ATOM 0 HB3 ASP A 104 -10.059 -2.925 -16.269 1.00 62.22 H new ATOM 1634 N ARG A 105 -7.805 -4.348 -14.152 1.00 54.55 N ATOM 1635 CA ARG A 105 -7.882 -4.902 -12.800 1.00 24.33 C ATOM 1636 C ARG A 105 -6.711 -4.402 -11.948 1.00 74.42 C ATOM 1637 O ARG A 105 -6.815 -4.303 -10.728 1.00 35.22 O ATOM 1638 CB ARG A 105 -7.919 -6.423 -12.857 1.00 11.42 C ATOM 1639 CG ARG A 105 -9.143 -6.977 -13.571 1.00 60.11 C ATOM 1640 CD ARG A 105 -9.133 -8.495 -13.616 1.00 2.23 C ATOM 1641 NE ARG A 105 -8.060 -9.034 -14.453 1.00 13.43 N ATOM 1642 CZ ARG A 105 -7.610 -10.292 -14.398 1.00 23.11 C ATOM 1643 NH1 ARG A 105 -8.076 -11.146 -13.490 1.00 74.33 N ATOM 1644 NH2 ARG A 105 -6.672 -10.687 -15.245 1.00 13.34 N ATOM 0 H ARG A 105 -7.435 -4.998 -14.846 1.00 54.55 H new ATOM 0 HA ARG A 105 -8.804 -4.560 -12.329 1.00 24.33 H new ATOM 0 HB2 ARG A 105 -7.022 -6.781 -13.361 1.00 11.42 H new ATOM 0 HB3 ARG A 105 -7.892 -6.817 -11.841 1.00 11.42 H new ATOM 0 HG2 ARG A 105 -10.045 -6.635 -13.064 1.00 60.11 H new ATOM 0 HG3 ARG A 105 -9.180 -6.584 -14.587 1.00 60.11 H new ATOM 0 HD2 ARG A 105 -9.026 -8.883 -12.603 1.00 2.23 H new ATOM 0 HD3 ARG A 105 -10.093 -8.848 -13.993 1.00 2.23 H new ATOM 0 HE ARG A 105 -7.624 -8.405 -15.127 1.00 13.43 H new ATOM 0 HH11 ARG A 105 -8.786 -10.844 -12.823 1.00 74.33 H new ATOM 0 HH12 ARG A 105 -7.723 -12.102 -13.461 1.00 74.33 H new ATOM 0 HH21 ARG A 105 -6.298 -10.033 -15.933 1.00 13.34 H new ATOM 0 HH22 ARG A 105 -6.323 -11.645 -15.210 1.00 13.34 H new ATOM 1658 N VAL A 106 -5.594 -4.122 -12.613 1.00 43.21 N ATOM 1659 CA VAL A 106 -4.576 -3.231 -12.080 1.00 71.40 C ATOM 1660 C VAL A 106 -4.871 -1.860 -12.692 1.00 15.24 C ATOM 1661 O VAL A 106 -4.730 -1.677 -13.900 1.00 25.31 O ATOM 1662 CB VAL A 106 -3.138 -3.715 -12.417 1.00 21.33 C ATOM 1663 CG1 VAL A 106 -2.084 -2.744 -11.911 1.00 34.21 C ATOM 1664 CG2 VAL A 106 -2.880 -5.105 -11.843 1.00 23.21 C ATOM 0 H VAL A 106 -5.372 -4.506 -13.532 1.00 43.21 H new ATOM 0 HA VAL A 106 -4.612 -3.200 -10.991 1.00 71.40 H new ATOM 0 HB VAL A 106 -3.065 -3.761 -13.504 1.00 21.33 H new ATOM 0 HG11 VAL A 106 -1.092 -3.118 -12.166 1.00 34.21 H new ATOM 0 HG12 VAL A 106 -2.235 -1.769 -12.375 1.00 34.21 H new ATOM 0 HG13 VAL A 106 -2.168 -2.648 -10.829 1.00 34.21 H new ATOM 0 HG21 VAL A 106 -1.867 -5.420 -12.093 1.00 23.21 H new ATOM 0 HG22 VAL A 106 -2.994 -5.078 -10.759 1.00 23.21 H new ATOM 0 HG23 VAL A 106 -3.594 -5.812 -12.266 1.00 23.21 H new ATOM 1674 N HIS A 107 -5.307 -0.929 -11.852 1.00 2.33 N ATOM 1675 CA HIS A 107 -6.110 0.224 -12.296 1.00 21.33 C ATOM 1676 C HIS A 107 -5.234 1.392 -12.811 1.00 44.44 C ATOM 1677 O HIS A 107 -4.723 1.341 -13.934 1.00 52.12 O ATOM 1678 CB HIS A 107 -7.060 0.703 -11.161 1.00 62.14 C ATOM 1679 CG HIS A 107 -7.847 -0.377 -10.453 1.00 75.22 C ATOM 1680 ND1 HIS A 107 -7.350 -1.066 -9.368 1.00 33.01 N ATOM 1681 CD2 HIS A 107 -9.083 -0.876 -10.668 1.00 71.04 C ATOM 1682 CE1 HIS A 107 -8.239 -1.931 -8.946 1.00 14.44 C ATOM 1683 NE2 HIS A 107 -9.303 -1.843 -9.715 1.00 64.30 N ATOM 0 H HIS A 107 -5.120 -0.943 -10.849 1.00 2.33 H new ATOM 0 HA HIS A 107 -6.713 -0.114 -13.139 1.00 21.33 H new ATOM 0 HB2 HIS A 107 -6.466 1.237 -10.419 1.00 62.14 H new ATOM 0 HB3 HIS A 107 -7.764 1.420 -11.583 1.00 62.14 H new ATOM 0 HD1 HIS A 107 -6.428 -0.924 -8.955 1.00 33.01 H new ATOM 0 HD2 HIS A 107 -9.771 -0.572 -11.444 1.00 71.04 H new ATOM 0 HE1 HIS A 107 -8.119 -2.603 -8.109 1.00 14.44 H new ATOM 1692 N ASN A 108 -5.059 2.434 -11.989 1.00 2.12 N ATOM 1693 CA ASN A 108 -4.316 3.636 -12.381 1.00 55.52 C ATOM 1694 C ASN A 108 -3.780 4.358 -11.141 1.00 61.25 C ATOM 1695 O ASN A 108 -2.574 4.448 -10.939 1.00 23.21 O ATOM 1696 CB ASN A 108 -5.221 4.572 -13.212 1.00 52.14 C ATOM 1697 CG ASN A 108 -4.551 5.880 -13.613 1.00 60.25 C ATOM 1698 OD1 ASN A 108 -4.662 6.886 -12.920 1.00 70.55 O ATOM 1699 ND2 ASN A 108 -3.857 5.879 -14.735 1.00 25.12 N ATOM 0 H ASN A 108 -5.427 2.467 -11.038 1.00 2.12 H new ATOM 0 HA ASN A 108 -3.467 3.341 -12.997 1.00 55.52 H new ATOM 0 HB2 ASN A 108 -5.540 4.047 -14.113 1.00 52.14 H new ATOM 0 HB3 ASN A 108 -6.120 4.796 -12.638 1.00 52.14 H new ATOM 0 HD21 ASN A 108 -3.393 6.732 -15.049 1.00 25.12 H new ATOM 0 HD22 ASN A 108 -3.784 5.026 -15.289 1.00 25.12 H new ATOM 1706 N GLY A 109 -4.695 4.840 -10.296 1.00 42.14 N ATOM 1707 CA GLY A 109 -4.315 5.605 -9.121 1.00 61.53 C ATOM 1708 C GLY A 109 -3.953 4.730 -7.935 1.00 41.02 C ATOM 1709 O GLY A 109 -3.394 5.219 -6.964 1.00 14.02 O ATOM 0 H GLY A 109 -5.700 4.711 -10.409 1.00 42.14 H new ATOM 0 HA2 GLY A 109 -3.466 6.242 -9.368 1.00 61.53 H new ATOM 0 HA3 GLY A 109 -5.137 6.264 -8.842 1.00 61.53 H new ATOM 1713 N ASP A 110 -4.252 3.431 -8.049 1.00 11.34 N ATOM 1714 CA ASP A 110 -3.912 2.414 -7.041 1.00 74.33 C ATOM 1715 C ASP A 110 -2.395 2.253 -6.871 1.00 21.20 C ATOM 1716 O ASP A 110 -1.902 2.152 -5.749 1.00 11.00 O ATOM 1717 CB ASP A 110 -4.572 1.045 -7.381 1.00 13.12 C ATOM 1718 CG ASP A 110 -4.273 0.468 -8.775 1.00 51.54 C ATOM 1719 OD1 ASP A 110 -3.808 1.188 -9.673 1.00 52.21 O ATOM 1720 OD2 ASP A 110 -4.545 -0.719 -8.980 1.00 21.33 O ATOM 0 H ASP A 110 -4.745 3.048 -8.856 1.00 11.34 H new ATOM 0 HA ASP A 110 -4.312 2.766 -6.090 1.00 74.33 H new ATOM 0 HB2 ASP A 110 -4.253 0.317 -6.635 1.00 13.12 H new ATOM 0 HB3 ASP A 110 -5.652 1.152 -7.280 1.00 13.12 H new ATOM 1725 N ILE A 111 -1.673 2.254 -7.987 1.00 53.22 N ATOM 1726 CA ILE A 111 -0.216 2.217 -7.985 1.00 30.41 C ATOM 1727 C ILE A 111 0.338 3.608 -7.629 1.00 32.51 C ATOM 1728 O ILE A 111 1.343 3.710 -6.957 1.00 51.41 O ATOM 1729 CB ILE A 111 0.380 1.776 -9.360 1.00 21.25 C ATOM 1730 CG1 ILE A 111 -0.462 0.685 -10.061 1.00 4.41 C ATOM 1731 CG2 ILE A 111 1.826 1.287 -9.196 1.00 43.33 C ATOM 1732 CD1 ILE A 111 -0.400 -0.684 -9.422 1.00 61.21 C ATOM 0 H ILE A 111 -2.084 2.281 -8.920 1.00 53.22 H new ATOM 0 HA ILE A 111 0.079 1.477 -7.241 1.00 30.41 H new ATOM 0 HB ILE A 111 0.361 2.661 -9.996 1.00 21.25 H new ATOM 0 HG12 ILE A 111 -1.502 1.011 -10.085 1.00 4.41 H new ATOM 0 HG13 ILE A 111 -0.130 0.601 -11.096 1.00 4.41 H new ATOM 0 HG21 ILE A 111 2.220 0.985 -10.166 1.00 43.33 H new ATOM 0 HG22 ILE A 111 2.438 2.092 -8.790 1.00 43.33 H new ATOM 0 HG23 ILE A 111 1.847 0.436 -8.515 1.00 43.33 H new ATOM 0 HD11 ILE A 111 -1.023 -1.378 -9.987 1.00 61.21 H new ATOM 0 HD12 ILE A 111 0.630 -1.039 -9.422 1.00 61.21 H new ATOM 0 HD13 ILE A 111 -0.763 -0.623 -8.396 1.00 61.21 H new ATOM 1744 N LYS A 112 -0.343 4.681 -8.049 1.00 70.43 N ATOM 1745 CA LYS A 112 0.145 6.050 -7.802 1.00 20.12 C ATOM 1746 C LYS A 112 0.141 6.439 -6.316 1.00 62.05 C ATOM 1747 O LYS A 112 1.087 7.074 -5.844 1.00 23.12 O ATOM 1748 CB LYS A 112 -0.650 7.074 -8.615 1.00 65.35 C ATOM 1749 CG LYS A 112 -0.227 7.170 -10.073 1.00 32.02 C ATOM 1750 CD LYS A 112 1.224 7.608 -10.201 1.00 71.44 C ATOM 1751 CE LYS A 112 1.617 7.905 -11.642 1.00 31.13 C ATOM 1752 NZ LYS A 112 1.054 9.193 -12.117 1.00 51.33 N ATOM 0 H LYS A 112 -1.226 4.633 -8.557 1.00 70.43 H new ATOM 0 HA LYS A 112 1.185 6.058 -8.129 1.00 20.12 H new ATOM 0 HB2 LYS A 112 -1.708 6.815 -8.571 1.00 65.35 H new ATOM 0 HB3 LYS A 112 -0.542 8.054 -8.151 1.00 65.35 H new ATOM 0 HG2 LYS A 112 -0.361 6.203 -10.557 1.00 32.02 H new ATOM 0 HG3 LYS A 112 -0.870 7.879 -10.594 1.00 32.02 H new ATOM 0 HD2 LYS A 112 1.387 8.497 -9.592 1.00 71.44 H new ATOM 0 HD3 LYS A 112 1.873 6.827 -9.804 1.00 71.44 H new ATOM 0 HE2 LYS A 112 2.704 7.932 -11.723 1.00 31.13 H new ATOM 0 HE3 LYS A 112 1.269 7.098 -12.286 1.00 31.13 H new ATOM 0 HZ1 LYS A 112 1.387 9.382 -13.084 1.00 51.33 H new ATOM 0 HZ2 LYS A 112 0.015 9.141 -12.112 1.00 51.33 H new ATOM 0 HZ3 LYS A 112 1.365 9.961 -11.488 1.00 51.33 H new ATOM 1766 N LYS A 113 -0.893 6.033 -5.574 1.00 31.30 N ATOM 1767 CA LYS A 113 -0.958 6.297 -4.129 1.00 40.11 C ATOM 1768 C LYS A 113 0.011 5.395 -3.360 1.00 63.34 C ATOM 1769 O LYS A 113 0.503 5.769 -2.298 1.00 2.13 O ATOM 1770 CB LYS A 113 -2.390 6.126 -3.596 1.00 23.14 C ATOM 1771 CG LYS A 113 -2.990 4.730 -3.789 1.00 51.13 C ATOM 1772 CD LYS A 113 -4.442 4.633 -3.312 1.00 25.23 C ATOM 1773 CE LYS A 113 -5.460 5.078 -4.363 1.00 30.23 C ATOM 1774 NZ LYS A 113 -5.377 6.524 -4.689 1.00 11.21 N ATOM 0 H LYS A 113 -1.694 5.522 -5.945 1.00 31.30 H new ATOM 0 HA LYS A 113 -0.659 7.333 -3.971 1.00 40.11 H new ATOM 0 HB2 LYS A 113 -2.397 6.364 -2.532 1.00 23.14 H new ATOM 0 HB3 LYS A 113 -3.035 6.853 -4.089 1.00 23.14 H new ATOM 0 HG2 LYS A 113 -2.941 4.462 -4.844 1.00 51.13 H new ATOM 0 HG3 LYS A 113 -2.386 4.002 -3.247 1.00 51.13 H new ATOM 0 HD2 LYS A 113 -4.654 3.603 -3.026 1.00 25.23 H new ATOM 0 HD3 LYS A 113 -4.564 5.244 -2.418 1.00 25.23 H new ATOM 0 HE2 LYS A 113 -5.308 4.499 -5.274 1.00 30.23 H new ATOM 0 HE3 LYS A 113 -6.464 4.851 -4.005 1.00 30.23 H new ATOM 0 HZ1 LYS A 113 -6.287 6.845 -5.078 1.00 11.21 H new ATOM 0 HZ2 LYS A 113 -5.160 7.062 -3.826 1.00 11.21 H new ATOM 0 HZ3 LYS A 113 -4.626 6.679 -5.392 1.00 11.21 H new ATOM 1788 N LEU A 114 0.306 4.233 -3.945 1.00 75.24 N ATOM 1789 CA LEU A 114 1.190 3.239 -3.355 1.00 73.24 C ATOM 1790 C LEU A 114 2.671 3.661 -3.456 1.00 30.12 C ATOM 1791 O LEU A 114 3.496 3.185 -2.679 1.00 45.15 O ATOM 1792 CB LEU A 114 0.869 1.867 -4.015 1.00 43.22 C ATOM 1793 CG LEU A 114 2.015 0.891 -4.329 1.00 5.34 C ATOM 1794 CD1 LEU A 114 1.493 -0.515 -4.442 1.00 43.52 C ATOM 1795 CD2 LEU A 114 2.685 1.245 -5.631 1.00 21.11 C ATOM 0 H LEU A 114 -0.069 3.957 -4.852 1.00 75.24 H new ATOM 0 HA LEU A 114 1.015 3.149 -2.283 1.00 73.24 H new ATOM 0 HB2 LEU A 114 0.167 1.347 -3.363 1.00 43.22 H new ATOM 0 HB3 LEU A 114 0.346 2.069 -4.950 1.00 43.22 H new ATOM 0 HG LEU A 114 2.734 0.963 -3.513 1.00 5.34 H new ATOM 0 HD11 LEU A 114 2.317 -1.192 -4.665 1.00 43.52 H new ATOM 0 HD12 LEU A 114 1.027 -0.807 -3.501 1.00 43.52 H new ATOM 0 HD13 LEU A 114 0.755 -0.566 -5.243 1.00 43.52 H new ATOM 0 HD21 LEU A 114 3.492 0.539 -5.829 1.00 21.11 H new ATOM 0 HD22 LEU A 114 1.956 1.199 -6.440 1.00 21.11 H new ATOM 0 HD23 LEU A 114 3.093 2.254 -5.568 1.00 21.11 H new ATOM 1807 N ILE A 115 2.992 4.563 -4.408 1.00 31.11 N ATOM 1808 CA ILE A 115 4.356 5.110 -4.542 1.00 1.42 C ATOM 1809 C ILE A 115 4.687 5.969 -3.316 1.00 62.31 C ATOM 1810 O ILE A 115 5.795 5.903 -2.774 1.00 75.00 O ATOM 1811 CB ILE A 115 4.541 5.977 -5.828 1.00 63.11 C ATOM 1812 CG1 ILE A 115 4.066 5.249 -7.103 1.00 53.24 C ATOM 1813 CG2 ILE A 115 5.998 6.408 -5.992 1.00 14.45 C ATOM 1814 CD1 ILE A 115 4.763 3.932 -7.399 1.00 34.15 C ATOM 0 H ILE A 115 2.327 4.925 -5.092 1.00 31.11 H new ATOM 0 HA ILE A 115 5.031 4.258 -4.619 1.00 1.42 H new ATOM 0 HB ILE A 115 3.916 6.860 -5.697 1.00 63.11 H new ATOM 0 HG12 ILE A 115 2.995 5.063 -7.017 1.00 53.24 H new ATOM 0 HG13 ILE A 115 4.207 5.915 -7.955 1.00 53.24 H new ATOM 0 HG21 ILE A 115 6.100 7.010 -6.895 1.00 14.45 H new ATOM 0 HG22 ILE A 115 6.303 6.997 -5.127 1.00 14.45 H new ATOM 0 HG23 ILE A 115 6.632 5.525 -6.072 1.00 14.45 H new ATOM 0 HD11 ILE A 115 4.356 3.503 -8.315 1.00 34.15 H new ATOM 0 HD12 ILE A 115 5.832 4.106 -7.524 1.00 34.15 H new ATOM 0 HD13 ILE A 115 4.602 3.241 -6.572 1.00 34.15 H new ATOM 1826 N SER A 116 3.684 6.732 -2.871 1.00 3.33 N ATOM 1827 CA SER A 116 3.781 7.554 -1.667 1.00 0.42 C ATOM 1828 C SER A 116 3.882 6.670 -0.420 1.00 53.22 C ATOM 1829 O SER A 116 4.550 7.025 0.553 1.00 13.40 O ATOM 1830 CB SER A 116 2.548 8.461 -1.566 1.00 74.50 C ATOM 1831 OG SER A 116 2.667 9.403 -0.513 1.00 53.32 O ATOM 0 H SER A 116 2.780 6.795 -3.339 1.00 3.33 H new ATOM 0 HA SER A 116 4.680 8.167 -1.729 1.00 0.42 H new ATOM 0 HB2 SER A 116 2.407 8.988 -2.510 1.00 74.50 H new ATOM 0 HB3 SER A 116 1.660 7.849 -1.407 1.00 74.50 H new ATOM 0 HG SER A 116 1.863 9.963 -0.482 1.00 53.32 H new ATOM 1837 N TRP A 117 3.242 5.499 -0.482 1.00 63.30 N ATOM 1838 CA TRP A 117 3.205 4.574 0.638 1.00 50.25 C ATOM 1839 C TRP A 117 4.513 3.803 0.787 1.00 63.22 C ATOM 1840 O TRP A 117 4.849 3.435 1.896 1.00 65.41 O ATOM 1841 CB TRP A 117 2.029 3.607 0.512 1.00 2.14 C ATOM 1842 CG TRP A 117 0.684 4.269 0.656 1.00 72.31 C ATOM 1843 CD1 TRP A 117 0.417 5.495 1.202 1.00 45.42 C ATOM 1844 CD2 TRP A 117 -0.578 3.729 0.262 1.00 42.52 C ATOM 1845 NE1 TRP A 117 -0.928 5.751 1.160 1.00 53.43 N ATOM 1846 CE2 TRP A 117 -1.563 4.681 0.591 1.00 41.23 C ATOM 1847 CE3 TRP A 117 -0.975 2.536 -0.338 1.00 73.02 C ATOM 1848 CZ2 TRP A 117 -2.913 4.472 0.337 1.00 63.34 C ATOM 1849 CZ3 TRP A 117 -2.316 2.330 -0.586 1.00 31.31 C ATOM 1850 CH2 TRP A 117 -3.269 3.291 -0.248 1.00 14.24 C ATOM 0 H TRP A 117 2.740 5.173 -1.308 1.00 63.30 H new ATOM 0 HA TRP A 117 3.070 5.172 1.539 1.00 50.25 H new ATOM 0 HB2 TRP A 117 2.079 3.112 -0.458 1.00 2.14 H new ATOM 0 HB3 TRP A 117 2.125 2.831 1.271 1.00 2.14 H new ATOM 0 HD1 TRP A 117 1.160 6.165 1.608 1.00 45.42 H new ATOM 0 HE1 TRP A 117 -1.382 6.600 1.498 1.00 53.43 H new ATOM 0 HE3 TRP A 117 -0.245 1.786 -0.604 1.00 73.02 H new ATOM 0 HZ2 TRP A 117 -3.653 5.216 0.593 1.00 63.34 H new ATOM 0 HZ3 TRP A 117 -2.634 1.408 -1.050 1.00 31.31 H new ATOM 0 HH2 TRP A 117 -4.311 3.096 -0.454 1.00 14.24 H new ATOM 1861 N TYR A 118 5.253 3.591 -0.323 1.00 71.41 N ATOM 1862 CA TYR A 118 6.607 2.993 -0.277 1.00 24.45 C ATOM 1863 C TYR A 118 7.528 3.802 0.608 1.00 2.15 C ATOM 1864 O TYR A 118 8.272 3.257 1.406 1.00 55.04 O ATOM 1865 CB TYR A 118 7.272 2.955 -1.649 1.00 1.11 C ATOM 1866 CG TYR A 118 6.707 1.984 -2.642 1.00 43.31 C ATOM 1867 CD1 TYR A 118 6.263 0.728 -2.264 1.00 61.12 C ATOM 1868 CD2 TYR A 118 6.660 2.327 -3.981 1.00 72.34 C ATOM 1869 CE1 TYR A 118 5.772 -0.154 -3.199 1.00 31.12 C ATOM 1870 CE2 TYR A 118 6.173 1.455 -4.919 1.00 43.04 C ATOM 1871 CZ TYR A 118 5.732 0.215 -4.525 1.00 74.33 C ATOM 1872 OH TYR A 118 5.221 -0.651 -5.460 1.00 21.11 O ATOM 0 H TYR A 118 4.936 3.825 -1.264 1.00 71.41 H new ATOM 0 HA TYR A 118 6.462 1.982 0.105 1.00 24.45 H new ATOM 0 HB2 TYR A 118 7.219 3.954 -2.081 1.00 1.11 H new ATOM 0 HB3 TYR A 118 8.328 2.724 -1.510 1.00 1.11 H new ATOM 0 HD1 TYR A 118 6.303 0.438 -1.224 1.00 61.12 H new ATOM 0 HD2 TYR A 118 7.013 3.299 -4.293 1.00 72.34 H new ATOM 0 HE1 TYR A 118 5.420 -1.129 -2.895 1.00 31.12 H new ATOM 0 HE2 TYR A 118 6.136 1.740 -5.960 1.00 43.04 H new ATOM 0 HH TYR A 118 4.471 -1.147 -5.071 1.00 21.11 H new ATOM 1882 N ASN A 119 7.445 5.115 0.454 1.00 2.23 N ATOM 1883 CA ASN A 119 8.283 6.059 1.198 1.00 40.15 C ATOM 1884 C ASN A 119 8.067 5.962 2.716 1.00 12.25 C ATOM 1885 O ASN A 119 9.002 6.133 3.488 1.00 41.03 O ATOM 1886 CB ASN A 119 7.990 7.482 0.734 1.00 21.32 C ATOM 1887 CG ASN A 119 8.185 7.697 -0.759 1.00 0.14 C ATOM 1888 OD1 ASN A 119 7.389 8.375 -1.400 1.00 74.44 O ATOM 1889 ND2 ASN A 119 9.262 7.165 -1.315 1.00 23.10 N ATOM 0 H ASN A 119 6.794 5.563 -0.191 1.00 2.23 H new ATOM 0 HA ASN A 119 9.322 5.800 0.996 1.00 40.15 H new ATOM 0 HB2 ASN A 119 6.963 7.735 0.996 1.00 21.32 H new ATOM 0 HB3 ASN A 119 8.636 8.171 1.278 1.00 21.32 H new ATOM 0 HD21 ASN A 119 9.451 7.314 -2.306 1.00 23.10 H new ATOM 0 HD22 ASN A 119 9.903 6.606 -0.752 1.00 23.10 H new ATOM 1896 N ILE A 120 6.830 5.685 3.114 1.00 51.22 N ATOM 1897 CA ILE A 120 6.447 5.527 4.519 1.00 22.44 C ATOM 1898 C ILE A 120 6.813 4.125 5.061 1.00 61.12 C ATOM 1899 O ILE A 120 7.437 3.993 6.125 1.00 54.23 O ATOM 1900 CB ILE A 120 4.920 5.773 4.661 1.00 70.41 C ATOM 1901 CG1 ILE A 120 4.563 7.153 4.090 1.00 73.22 C ATOM 1902 CG2 ILE A 120 4.467 5.665 6.116 1.00 71.24 C ATOM 1903 CD1 ILE A 120 3.085 7.368 3.860 1.00 1.24 C ATOM 0 H ILE A 120 6.053 5.562 2.465 1.00 51.22 H new ATOM 0 HA ILE A 120 7.000 6.257 5.109 1.00 22.44 H new ATOM 0 HB ILE A 120 4.396 5.001 4.097 1.00 70.41 H new ATOM 0 HG12 ILE A 120 4.928 7.921 4.772 1.00 73.22 H new ATOM 0 HG13 ILE A 120 5.089 7.290 3.145 1.00 73.22 H new ATOM 0 HG21 ILE A 120 3.393 5.843 6.177 1.00 71.24 H new ATOM 0 HG22 ILE A 120 4.692 4.668 6.494 1.00 71.24 H new ATOM 0 HG23 ILE A 120 4.992 6.407 6.717 1.00 71.24 H new ATOM 0 HD11 ILE A 120 2.921 8.367 3.456 1.00 1.24 H new ATOM 0 HD12 ILE A 120 2.715 6.626 3.153 1.00 1.24 H new ATOM 0 HD13 ILE A 120 2.551 7.267 4.805 1.00 1.24 H new ATOM 1915 N LEU A 121 6.429 3.098 4.298 1.00 74.24 N ATOM 1916 CA LEU A 121 6.496 1.695 4.724 1.00 52.52 C ATOM 1917 C LEU A 121 7.925 1.142 4.756 1.00 71.44 C ATOM 1918 O LEU A 121 8.303 0.456 5.703 1.00 45.13 O ATOM 1919 CB LEU A 121 5.639 0.847 3.783 1.00 23.44 C ATOM 1920 CG LEU A 121 4.123 1.056 3.874 1.00 63.13 C ATOM 1921 CD1 LEU A 121 3.436 0.468 2.655 1.00 41.04 C ATOM 1922 CD2 LEU A 121 3.560 0.421 5.134 1.00 40.24 C ATOM 0 H LEU A 121 6.058 3.218 3.355 1.00 74.24 H new ATOM 0 HA LEU A 121 6.119 1.648 5.746 1.00 52.52 H new ATOM 0 HB2 LEU A 121 5.952 1.050 2.759 1.00 23.44 H new ATOM 0 HB3 LEU A 121 5.852 -0.204 3.979 1.00 23.44 H new ATOM 0 HG LEU A 121 3.934 2.129 3.912 1.00 63.13 H new ATOM 0 HD11 LEU A 121 2.360 0.624 2.733 1.00 41.04 H new ATOM 0 HD12 LEU A 121 3.809 0.958 1.756 1.00 41.04 H new ATOM 0 HD13 LEU A 121 3.645 -0.600 2.600 1.00 41.04 H new ATOM 0 HD21 LEU A 121 2.483 0.584 5.174 1.00 40.24 H new ATOM 0 HD22 LEU A 121 3.765 -0.650 5.125 1.00 40.24 H new ATOM 0 HD23 LEU A 121 4.028 0.872 6.009 1.00 40.24 H new ATOM 1934 N VAL A 122 8.700 1.449 3.713 1.00 31.01 N ATOM 1935 CA VAL A 122 10.097 0.996 3.596 1.00 25.43 C ATOM 1936 C VAL A 122 10.996 1.744 4.603 1.00 40.35 C ATOM 1937 O VAL A 122 11.992 1.194 5.086 1.00 42.41 O ATOM 1938 CB VAL A 122 10.633 1.159 2.132 1.00 51.32 C ATOM 1939 CG1 VAL A 122 12.068 0.664 1.978 1.00 12.42 C ATOM 1940 CG2 VAL A 122 9.736 0.420 1.147 1.00 5.00 C ATOM 0 H VAL A 122 8.383 2.016 2.927 1.00 31.01 H new ATOM 0 HA VAL A 122 10.125 -0.067 3.836 1.00 25.43 H new ATOM 0 HB VAL A 122 10.622 2.227 1.914 1.00 51.32 H new ATOM 0 HG11 VAL A 122 12.391 0.799 0.946 1.00 12.42 H new ATOM 0 HG12 VAL A 122 12.722 1.232 2.640 1.00 12.42 H new ATOM 0 HG13 VAL A 122 12.118 -0.393 2.238 1.00 12.42 H new ATOM 0 HG21 VAL A 122 10.125 0.545 0.136 1.00 5.00 H new ATOM 0 HG22 VAL A 122 9.715 -0.640 1.399 1.00 5.00 H new ATOM 0 HG23 VAL A 122 8.726 0.826 1.200 1.00 5.00 H new ATOM 1950 N ASN A 123 10.588 2.977 4.954 1.00 53.45 N ATOM 1951 CA ASN A 123 11.331 3.844 5.883 1.00 53.14 C ATOM 1952 C ASN A 123 11.472 3.214 7.268 1.00 2.00 C ATOM 1953 O ASN A 123 12.581 3.062 7.771 1.00 40.40 O ATOM 1954 CB ASN A 123 10.613 5.189 6.010 1.00 12.40 C ATOM 1955 CG ASN A 123 11.375 6.211 6.830 1.00 22.11 C ATOM 1956 OD1 ASN A 123 11.185 6.320 8.040 1.00 53.31 O ATOM 1957 ND2 ASN A 123 12.243 6.962 6.175 1.00 41.11 N ATOM 0 H ASN A 123 9.730 3.400 4.599 1.00 53.45 H new ATOM 0 HA ASN A 123 12.333 3.983 5.476 1.00 53.14 H new ATOM 0 HB2 ASN A 123 10.438 5.593 5.013 1.00 12.40 H new ATOM 0 HB3 ASN A 123 9.635 5.028 6.464 1.00 12.40 H new ATOM 0 HD21 ASN A 123 12.787 7.666 6.674 1.00 41.11 H new ATOM 0 HD22 ASN A 123 12.369 6.838 5.170 1.00 41.11 H new ATOM 1964 N ASN A 124 10.346 2.847 7.870 1.00 74.31 N ATOM 1965 CA ASN A 124 10.344 2.279 9.216 1.00 24.11 C ATOM 1966 C ASN A 124 10.523 0.759 9.205 1.00 61.03 C ATOM 1967 O ASN A 124 10.726 0.153 10.260 1.00 41.25 O ATOM 1968 CB ASN A 124 9.045 2.648 9.944 1.00 35.42 C ATOM 1969 CG ASN A 124 8.946 4.128 10.277 1.00 13.35 C ATOM 1970 OD1 ASN A 124 9.389 4.561 11.333 1.00 15.22 O ATOM 1971 ND2 ASN A 124 8.350 4.911 9.385 1.00 31.22 N ATOM 0 H ASN A 124 9.421 2.932 7.448 1.00 74.31 H new ATOM 0 HA ASN A 124 11.196 2.704 9.747 1.00 24.11 H new ATOM 0 HB2 ASN A 124 8.195 2.364 9.324 1.00 35.42 H new ATOM 0 HB3 ASN A 124 8.975 2.069 10.865 1.00 35.42 H new ATOM 0 HD21 ASN A 124 8.249 5.909 9.569 1.00 31.22 H new ATOM 0 HD22 ASN A 124 7.993 4.514 8.516 1.00 31.22 H new ATOM 1978 N GLY A 125 10.476 0.161 8.010 1.00 42.43 N ATOM 1979 CA GLY A 125 10.568 -1.286 7.877 1.00 41.44 C ATOM 1980 C GLY A 125 9.330 -1.994 8.386 1.00 24.32 C ATOM 1981 O GLY A 125 9.429 -2.998 9.087 1.00 34.31 O ATOM 0 H GLY A 125 10.375 0.660 7.126 1.00 42.43 H new ATOM 0 HA2 GLY A 125 10.724 -1.542 6.829 1.00 41.44 H new ATOM 0 HA3 GLY A 125 11.439 -1.644 8.426 1.00 41.44 H new ATOM 1985 N ILE A 126 8.170 -1.467 8.011 1.00 50.12 N ATOM 1986 CA ILE A 126 6.887 -1.923 8.537 1.00 21.22 C ATOM 1987 C ILE A 126 6.560 -3.332 8.025 1.00 2.45 C ATOM 1988 O ILE A 126 6.657 -3.609 6.835 1.00 63.21 O ATOM 1989 CB ILE A 126 5.760 -0.926 8.160 1.00 23.35 C ATOM 1990 CG1 ILE A 126 6.160 0.500 8.588 1.00 72.01 C ATOM 1991 CG2 ILE A 126 4.441 -1.335 8.815 1.00 45.05 C ATOM 1992 CD1 ILE A 126 5.207 1.586 8.136 1.00 32.50 C ATOM 0 H ILE A 126 8.092 -0.710 7.332 1.00 50.12 H new ATOM 0 HA ILE A 126 6.957 -1.966 9.624 1.00 21.22 H new ATOM 0 HB ILE A 126 5.620 -0.943 7.079 1.00 23.35 H new ATOM 0 HG12 ILE A 126 6.236 0.531 9.675 1.00 72.01 H new ATOM 0 HG13 ILE A 126 7.152 0.719 8.193 1.00 72.01 H new ATOM 0 HG21 ILE A 126 3.662 -0.624 8.539 1.00 45.05 H new ATOM 0 HG22 ILE A 126 4.160 -2.332 8.475 1.00 45.05 H new ATOM 0 HG23 ILE A 126 4.559 -1.341 9.899 1.00 45.05 H new ATOM 0 HD11 ILE A 126 5.568 2.554 8.482 1.00 32.50 H new ATOM 0 HD12 ILE A 126 5.148 1.589 7.048 1.00 32.50 H new ATOM 0 HD13 ILE A 126 4.217 1.398 8.552 1.00 32.50 H new ATOM 2004 N THR A 127 6.162 -4.210 8.939 1.00 63.32 N ATOM 2005 CA THR A 127 5.965 -5.624 8.637 1.00 74.22 C ATOM 2006 C THR A 127 4.542 -5.937 8.144 1.00 12.40 C ATOM 2007 O THR A 127 3.955 -6.955 8.516 1.00 74.31 O ATOM 2008 CB THR A 127 6.291 -6.479 9.881 1.00 51.30 C ATOM 2009 OG1 THR A 127 5.664 -5.913 11.042 1.00 13.41 O ATOM 2010 CG2 THR A 127 7.796 -6.575 10.104 1.00 70.23 C ATOM 0 H THR A 127 5.967 -3.963 9.909 1.00 63.32 H new ATOM 0 HA THR A 127 6.646 -5.873 7.823 1.00 74.22 H new ATOM 0 HB THR A 127 5.905 -7.484 9.711 1.00 51.30 H new ATOM 0 HG1 THR A 127 5.873 -6.461 11.827 1.00 13.41 H new ATOM 0 HG21 THR A 127 7.995 -7.183 10.987 1.00 70.23 H new ATOM 0 HG22 THR A 127 8.264 -7.035 9.234 1.00 70.23 H new ATOM 0 HG23 THR A 127 8.206 -5.576 10.251 1.00 70.23 H new ATOM 2018 N GLU A 128 4.020 -5.085 7.255 1.00 11.32 N ATOM 2019 CA GLU A 128 2.698 -5.286 6.667 1.00 65.20 C ATOM 2020 C GLU A 128 2.773 -6.145 5.414 1.00 51.41 C ATOM 2021 O GLU A 128 1.774 -6.700 4.972 1.00 10.32 O ATOM 2022 CB GLU A 128 2.039 -3.950 6.331 1.00 42.44 C ATOM 2023 CG GLU A 128 1.440 -3.250 7.527 1.00 62.23 C ATOM 2024 CD GLU A 128 0.302 -4.027 8.151 1.00 4.21 C ATOM 2025 OE1 GLU A 128 -0.862 -3.832 7.747 1.00 75.43 O ATOM 2026 OE2 GLU A 128 0.569 -4.826 9.060 1.00 14.34 O ATOM 0 H GLU A 128 4.499 -4.246 6.928 1.00 11.32 H new ATOM 0 HA GLU A 128 2.092 -5.805 7.410 1.00 65.20 H new ATOM 0 HB2 GLU A 128 2.779 -3.295 5.871 1.00 42.44 H new ATOM 0 HB3 GLU A 128 1.257 -4.117 5.590 1.00 42.44 H new ATOM 0 HG2 GLU A 128 2.217 -3.089 8.275 1.00 62.23 H new ATOM 0 HG3 GLU A 128 1.080 -2.267 7.224 1.00 62.23 H new ATOM 2033 N PHE A 129 3.968 -6.261 4.868 1.00 12.21 N ATOM 2034 CA PHE A 129 4.187 -6.984 3.632 1.00 13.34 C ATOM 2035 C PHE A 129 5.117 -8.168 3.844 1.00 32.21 C ATOM 2036 O PHE A 129 4.869 -9.256 3.336 1.00 22.33 O ATOM 2037 CB PHE A 129 4.722 -6.047 2.534 1.00 13.14 C ATOM 2038 CG PHE A 129 5.485 -4.838 3.005 1.00 71.41 C ATOM 2039 CD1 PHE A 129 6.814 -4.921 3.362 1.00 71.01 C ATOM 2040 CD2 PHE A 129 4.862 -3.617 3.073 1.00 20.53 C ATOM 2041 CE1 PHE A 129 7.510 -3.812 3.780 1.00 41.13 C ATOM 2042 CE2 PHE A 129 5.548 -2.506 3.490 1.00 70.12 C ATOM 2043 CZ PHE A 129 6.875 -2.599 3.843 1.00 41.44 C ATOM 0 H PHE A 129 4.814 -5.856 5.269 1.00 12.21 H new ATOM 0 HA PHE A 129 3.226 -7.376 3.300 1.00 13.34 H new ATOM 0 HB2 PHE A 129 5.370 -6.626 1.876 1.00 13.14 H new ATOM 0 HB3 PHE A 129 3.879 -5.707 1.933 1.00 13.14 H new ATOM 0 HD1 PHE A 129 7.318 -5.875 3.312 1.00 71.01 H new ATOM 0 HD2 PHE A 129 3.822 -3.531 2.795 1.00 20.53 H new ATOM 0 HE1 PHE A 129 8.550 -3.896 4.057 1.00 41.13 H new ATOM 0 HE2 PHE A 129 5.044 -1.552 3.542 1.00 70.12 H new ATOM 0 HZ PHE A 129 7.413 -1.721 4.168 1.00 41.44 H new ATOM 2053 N VAL A 130 6.174 -7.958 4.607 1.00 44.52 N ATOM 2054 CA VAL A 130 7.132 -9.004 4.888 1.00 13.10 C ATOM 2055 C VAL A 130 7.153 -9.316 6.390 1.00 1.34 C ATOM 2056 O VAL A 130 6.771 -8.483 7.212 1.00 1.45 O ATOM 2057 CB VAL A 130 8.540 -8.598 4.351 1.00 4.43 C ATOM 2058 CG1 VAL A 130 9.186 -7.477 5.163 1.00 2.43 C ATOM 2059 CG2 VAL A 130 9.463 -9.801 4.189 1.00 53.43 C ATOM 0 H VAL A 130 6.389 -7.063 5.045 1.00 44.52 H new ATOM 0 HA VAL A 130 6.835 -9.917 4.372 1.00 13.10 H new ATOM 0 HB VAL A 130 8.377 -8.190 3.354 1.00 4.43 H new ATOM 0 HG11 VAL A 130 10.163 -7.239 4.742 1.00 2.43 H new ATOM 0 HG12 VAL A 130 8.551 -6.592 5.131 1.00 2.43 H new ATOM 0 HG13 VAL A 130 9.306 -7.800 6.197 1.00 2.43 H new ATOM 0 HG21 VAL A 130 10.431 -9.469 3.813 1.00 53.43 H new ATOM 0 HG22 VAL A 130 9.597 -10.290 5.154 1.00 53.43 H new ATOM 0 HG23 VAL A 130 9.022 -10.506 3.484 1.00 53.43 H new ATOM 2069 N GLU A 131 7.565 -10.529 6.727 1.00 12.14 N ATOM 2070 CA GLU A 131 7.750 -10.942 8.112 1.00 24.02 C ATOM 2071 C GLU A 131 9.235 -10.844 8.519 1.00 54.35 C ATOM 2072 O GLU A 131 9.666 -11.442 9.508 1.00 22.52 O ATOM 2073 CB GLU A 131 7.232 -12.373 8.284 1.00 33.24 C ATOM 2074 CG GLU A 131 7.847 -13.370 7.312 1.00 43.35 C ATOM 2075 CD GLU A 131 7.516 -14.799 7.658 1.00 24.11 C ATOM 2076 OE1 GLU A 131 8.248 -15.393 8.475 1.00 42.23 O ATOM 2077 OE2 GLU A 131 6.535 -15.338 7.115 1.00 22.41 O ATOM 0 H GLU A 131 7.781 -11.257 6.046 1.00 12.14 H new ATOM 0 HA GLU A 131 7.186 -10.275 8.764 1.00 24.02 H new ATOM 0 HB2 GLU A 131 7.433 -12.702 9.303 1.00 33.24 H new ATOM 0 HB3 GLU A 131 6.150 -12.375 8.156 1.00 33.24 H new ATOM 0 HG2 GLU A 131 7.494 -13.153 6.304 1.00 43.35 H new ATOM 0 HG3 GLU A 131 8.930 -13.244 7.305 1.00 43.35 H new ATOM 2084 N ALA A 132 9.997 -10.063 7.750 1.00 74.13 N ATOM 2085 CA ALA A 132 11.433 -9.896 7.950 1.00 71.42 C ATOM 2086 C ALA A 132 11.740 -8.956 9.122 1.00 34.44 C ATOM 2087 O ALA A 132 10.870 -8.182 9.536 1.00 23.23 O ATOM 2088 CB ALA A 132 12.055 -9.356 6.667 1.00 33.24 C ATOM 0 H ALA A 132 9.629 -9.525 6.965 1.00 74.13 H new ATOM 0 HA ALA A 132 11.861 -10.868 8.194 1.00 71.42 H new ATOM 0 HB1 ALA A 132 13.128 -9.228 6.809 1.00 33.24 H new ATOM 0 HB2 ALA A 132 11.877 -10.059 5.853 1.00 33.24 H new ATOM 0 HB3 ALA A 132 11.605 -8.394 6.421 1.00 33.24 H new ATOM 2094 N PRO A 133 12.983 -9.002 9.682 1.00 52.33 N ATOM 2095 CA PRO A 133 13.432 -8.042 10.711 1.00 73.44 C ATOM 2096 C PRO A 133 13.855 -6.668 10.138 1.00 74.05 C ATOM 2097 O PRO A 133 14.895 -6.114 10.513 1.00 50.32 O ATOM 2098 CB PRO A 133 14.626 -8.762 11.342 1.00 61.45 C ATOM 2099 CG PRO A 133 15.192 -9.591 10.241 1.00 1.32 C ATOM 2100 CD PRO A 133 14.025 -10.027 9.406 1.00 61.21 C ATOM 0 HA PRO A 133 12.633 -7.794 11.409 1.00 73.44 H new ATOM 0 HB2 PRO A 133 15.361 -8.052 11.722 1.00 61.45 H new ATOM 0 HB3 PRO A 133 14.316 -9.380 12.184 1.00 61.45 H new ATOM 0 HG2 PRO A 133 15.903 -9.017 9.647 1.00 1.32 H new ATOM 0 HG3 PRO A 133 15.730 -10.452 10.638 1.00 1.32 H new ATOM 0 HD2 PRO A 133 14.282 -10.060 8.347 1.00 61.21 H new ATOM 0 HD3 PRO A 133 13.686 -11.025 9.683 1.00 61.21 H new ATOM 2108 N ALA A 134 13.012 -6.123 9.251 1.00 64.03 N ATOM 2109 CA ALA A 134 13.172 -4.770 8.728 1.00 0.24 C ATOM 2110 C ALA A 134 12.867 -3.756 9.828 1.00 4.41 C ATOM 2111 O ALA A 134 13.516 -2.718 9.929 1.00 13.21 O ATOM 2112 CB ALA A 134 12.269 -4.562 7.521 1.00 2.43 C ATOM 0 H ALA A 134 12.199 -6.614 8.878 1.00 64.03 H new ATOM 0 HA ALA A 134 14.202 -4.626 8.402 1.00 0.24 H new ATOM 0 HB1 ALA A 134 12.398 -3.549 7.140 1.00 2.43 H new ATOM 0 HB2 ALA A 134 12.532 -5.278 6.742 1.00 2.43 H new ATOM 0 HB3 ALA A 134 11.230 -4.710 7.814 1.00 2.43 H new ATOM 2118 N LEU A 135 11.866 -4.081 10.641 1.00 0.43 N ATOM 2119 CA LEU A 135 11.654 -3.421 11.909 1.00 42.25 C ATOM 2120 C LEU A 135 12.447 -4.178 12.964 1.00 31.22 C ATOM 2121 O LEU A 135 12.388 -5.408 13.016 1.00 40.24 O ATOM 2122 CB LEU A 135 10.158 -3.408 12.255 1.00 11.10 C ATOM 2123 CG LEU A 135 9.757 -2.682 13.549 1.00 64.35 C ATOM 2124 CD1 LEU A 135 10.127 -1.203 13.494 1.00 61.02 C ATOM 2125 CD2 LEU A 135 8.263 -2.843 13.802 1.00 3.33 C ATOM 0 H LEU A 135 11.184 -4.810 10.432 1.00 0.43 H new ATOM 0 HA LEU A 135 11.990 -2.385 11.864 1.00 42.25 H new ATOM 0 HB2 LEU A 135 9.621 -2.948 11.426 1.00 11.10 H new ATOM 0 HB3 LEU A 135 9.815 -4.440 12.323 1.00 11.10 H new ATOM 0 HG LEU A 135 10.309 -3.135 14.373 1.00 64.35 H new ATOM 0 HD11 LEU A 135 9.830 -0.719 14.424 1.00 61.02 H new ATOM 0 HD12 LEU A 135 11.204 -1.102 13.360 1.00 61.02 H new ATOM 0 HD13 LEU A 135 9.612 -0.730 12.658 1.00 61.02 H new ATOM 0 HD21 LEU A 135 7.992 -2.324 14.721 1.00 3.33 H new ATOM 0 HD22 LEU A 135 7.705 -2.418 12.968 1.00 3.33 H new ATOM 0 HD23 LEU A 135 8.022 -3.902 13.898 1.00 3.33 H new ATOM 2137 N GLU A 136 13.210 -3.438 13.764 1.00 12.41 N ATOM 2138 CA GLU A 136 14.049 -4.021 14.810 1.00 43.43 C ATOM 2139 C GLU A 136 13.192 -4.616 15.939 1.00 61.12 C ATOM 2140 O GLU A 136 13.259 -5.818 16.210 1.00 30.40 O ATOM 2141 CB GLU A 136 15.024 -2.951 15.350 1.00 63.11 C ATOM 2142 CG GLU A 136 15.881 -3.384 16.541 1.00 51.23 C ATOM 2143 CD GLU A 136 16.796 -4.557 16.245 1.00 0.11 C ATOM 2144 OE1 GLU A 136 17.900 -4.331 15.719 1.00 54.10 O ATOM 2145 OE2 GLU A 136 16.423 -5.706 16.562 1.00 73.23 O ATOM 0 H GLU A 136 13.265 -2.421 13.707 1.00 12.41 H new ATOM 0 HA GLU A 136 14.630 -4.838 14.382 1.00 43.43 H new ATOM 0 HB2 GLU A 136 15.686 -2.646 14.540 1.00 63.11 H new ATOM 0 HB3 GLU A 136 14.448 -2.072 15.639 1.00 63.11 H new ATOM 0 HG2 GLU A 136 16.485 -2.538 16.868 1.00 51.23 H new ATOM 0 HG3 GLU A 136 15.226 -3.647 17.371 1.00 51.23 H new ATOM 2152 N HIS A 137 12.368 -3.789 16.564 1.00 50.23 N ATOM 2153 CA HIS A 137 11.609 -4.225 17.716 1.00 30.21 C ATOM 2154 C HIS A 137 10.223 -4.697 17.291 1.00 35.31 C ATOM 2155 O HIS A 137 9.360 -3.887 16.957 1.00 43.41 O ATOM 2156 CB HIS A 137 11.503 -3.090 18.739 1.00 64.24 C ATOM 2157 CG HIS A 137 11.541 -3.568 20.153 1.00 4.12 C ATOM 2158 ND1 HIS A 137 10.431 -3.998 20.836 1.00 43.53 N ATOM 2159 CD2 HIS A 137 12.578 -3.700 21.006 1.00 52.34 C ATOM 2160 CE1 HIS A 137 10.783 -4.386 22.041 1.00 41.24 C ATOM 2161 NE2 HIS A 137 12.082 -4.212 22.175 1.00 33.22 N ATOM 0 H HIS A 137 12.211 -2.819 16.292 1.00 50.23 H new ATOM 0 HA HIS A 137 12.128 -5.063 18.182 1.00 30.21 H new ATOM 0 HB2 HIS A 137 12.320 -2.387 18.578 1.00 64.24 H new ATOM 0 HB3 HIS A 137 10.575 -2.544 18.572 1.00 64.24 H new ATOM 0 HD2 HIS A 137 13.609 -3.448 20.804 1.00 52.34 H new ATOM 0 HE1 HIS A 137 10.119 -4.781 22.795 1.00 41.24 H new ATOM 0 HE2 HIS A 137 12.627 -4.424 23.011 1.00 33.22 H new ATOM 2170 N HIS A 138 10.026 -6.015 17.281 1.00 5.21 N ATOM 2171 CA HIS A 138 8.730 -6.592 16.929 1.00 55.20 C ATOM 2172 C HIS A 138 8.399 -7.797 17.821 1.00 21.03 C ATOM 2173 O HIS A 138 8.709 -8.947 17.505 1.00 34.10 O ATOM 2174 CB HIS A 138 8.612 -6.912 15.400 1.00 35.42 C ATOM 2175 CG HIS A 138 9.646 -7.844 14.796 1.00 14.14 C ATOM 2176 ND1 HIS A 138 9.312 -9.050 14.223 1.00 44.43 N ATOM 2177 CD2 HIS A 138 10.983 -7.717 14.630 1.00 22.44 C ATOM 2178 CE1 HIS A 138 10.394 -9.621 13.738 1.00 72.22 C ATOM 2179 NE2 HIS A 138 11.426 -8.835 13.968 1.00 4.11 N ATOM 0 H HIS A 138 10.745 -6.701 17.512 1.00 5.21 H new ATOM 0 HA HIS A 138 7.971 -5.835 17.125 1.00 55.20 H new ATOM 0 HB2 HIS A 138 7.627 -7.343 15.222 1.00 35.42 H new ATOM 0 HB3 HIS A 138 8.651 -5.969 14.855 1.00 35.42 H new ATOM 0 HD2 HIS A 138 11.591 -6.887 14.959 1.00 22.44 H new ATOM 0 HE1 HIS A 138 10.430 -10.576 13.235 1.00 72.22 H new ATOM 0 HE2 HIS A 138 12.391 -9.025 13.699 1.00 4.11 H new ATOM 2188 N HIS A 139 7.811 -7.502 18.984 1.00 52.04 N ATOM 2189 CA HIS A 139 7.369 -8.533 19.931 1.00 65.20 C ATOM 2190 C HIS A 139 6.068 -8.127 20.610 1.00 3.22 C ATOM 2191 O HIS A 139 5.143 -8.928 20.714 1.00 24.50 O ATOM 2192 CB HIS A 139 8.435 -8.836 20.996 1.00 15.11 C ATOM 2193 CG HIS A 139 9.479 -9.824 20.559 1.00 72.50 C ATOM 2194 ND1 HIS A 139 10.763 -9.463 20.236 1.00 43.51 N ATOM 2195 CD2 HIS A 139 9.421 -11.169 20.403 1.00 50.40 C ATOM 2196 CE1 HIS A 139 11.450 -10.534 19.899 1.00 14.44 C ATOM 2197 NE2 HIS A 139 10.662 -11.582 19.991 1.00 54.43 N ATOM 0 H HIS A 139 7.628 -6.548 19.295 1.00 52.04 H new ATOM 0 HA HIS A 139 7.204 -9.441 19.350 1.00 65.20 H new ATOM 0 HB2 HIS A 139 8.927 -7.905 21.277 1.00 15.11 H new ATOM 0 HB3 HIS A 139 7.941 -9.218 21.890 1.00 15.11 H new ATOM 0 HD2 HIS A 139 8.559 -11.798 20.572 1.00 50.40 H new ATOM 0 HE1 HIS A 139 12.487 -10.549 19.598 1.00 14.44 H new ATOM 0 HE2 HIS A 139 10.930 -12.545 19.789 1.00 54.43 H new ATOM 2206 N HIS A 140 6.000 -6.885 21.081 1.00 2.33 N ATOM 2207 CA HIS A 140 4.773 -6.350 21.679 1.00 23.44 C ATOM 2208 C HIS A 140 4.439 -4.999 21.048 1.00 42.41 C ATOM 2209 O HIS A 140 5.061 -4.613 20.064 1.00 15.23 O ATOM 2210 CB HIS A 140 4.900 -6.211 23.205 1.00 41.31 C ATOM 2211 CG HIS A 140 4.948 -7.509 23.953 1.00 33.25 C ATOM 2212 ND1 HIS A 140 6.002 -7.871 24.762 1.00 45.33 N ATOM 2213 CD2 HIS A 140 4.051 -8.516 24.034 1.00 64.44 C ATOM 2214 CE1 HIS A 140 5.751 -9.045 25.307 1.00 25.10 C ATOM 2215 NE2 HIS A 140 4.575 -9.460 24.884 1.00 24.01 N ATOM 0 H HIS A 140 6.779 -6.227 21.062 1.00 2.33 H new ATOM 0 HA HIS A 140 3.964 -7.053 21.481 1.00 23.44 H new ATOM 0 HB2 HIS A 140 5.804 -5.645 23.430 1.00 41.31 H new ATOM 0 HB3 HIS A 140 4.057 -5.626 23.574 1.00 41.31 H new ATOM 0 HD2 HIS A 140 3.100 -8.569 23.526 1.00 64.44 H new ATOM 0 HE1 HIS A 140 6.401 -9.577 25.986 1.00 25.10 H new ATOM 0 HE2 HIS A 140 4.127 -10.338 25.145 1.00 24.01 H new ATOM 2224 N HIS A 141 3.458 -4.284 21.588 1.00 42.30 N ATOM 2225 CA HIS A 141 3.085 -2.993 21.031 1.00 72.11 C ATOM 2226 C HIS A 141 3.824 -1.856 21.749 1.00 32.50 C ATOM 2227 O HIS A 141 3.310 -1.247 22.691 1.00 71.44 O ATOM 2228 CB HIS A 141 1.558 -2.793 21.067 1.00 44.43 C ATOM 2229 CG HIS A 141 1.077 -1.631 20.246 1.00 43.41 C ATOM 2230 ND1 HIS A 141 0.913 -1.695 18.884 1.00 65.02 N ATOM 2231 CD2 HIS A 141 0.774 -0.363 20.597 1.00 1.21 C ATOM 2232 CE1 HIS A 141 0.535 -0.519 18.435 1.00 15.13 C ATOM 2233 NE2 HIS A 141 0.444 0.307 19.450 1.00 54.24 N ATOM 0 H HIS A 141 2.914 -4.573 22.401 1.00 42.30 H new ATOM 0 HA HIS A 141 3.388 -2.973 19.984 1.00 72.11 H new ATOM 0 HB2 HIS A 141 1.074 -3.702 20.711 1.00 44.43 H new ATOM 0 HB3 HIS A 141 1.245 -2.649 22.101 1.00 44.43 H new ATOM 0 HD2 HIS A 141 0.789 0.046 21.596 1.00 1.21 H new ATOM 0 HE1 HIS A 141 0.333 -0.274 17.403 1.00 15.13 H new ATOM 0 HE2 HIS A 141 0.172 1.288 19.394 1.00 54.24 H new ATOM 2242 N HIS A 142 5.059 -1.625 21.315 1.00 23.54 N ATOM 2243 CA HIS A 142 5.860 -0.474 21.740 1.00 2.40 C ATOM 2244 C HIS A 142 6.678 0.040 20.562 1.00 30.41 C ATOM 2245 O HIS A 142 6.752 -0.616 19.517 1.00 1.00 O ATOM 2246 CB HIS A 142 6.813 -0.809 22.900 1.00 72.23 C ATOM 2247 CG HIS A 142 6.178 -0.844 24.261 1.00 4.14 C ATOM 2248 ND1 HIS A 142 5.978 0.283 25.031 1.00 20.24 N ATOM 2249 CD2 HIS A 142 5.712 -1.878 24.993 1.00 31.24 C ATOM 2250 CE1 HIS A 142 5.423 -0.062 26.178 1.00 54.41 C ATOM 2251 NE2 HIS A 142 5.248 -1.367 26.178 1.00 20.14 N ATOM 0 H HIS A 142 5.539 -2.234 20.653 1.00 23.54 H new ATOM 0 HA HIS A 142 5.164 0.287 22.093 1.00 2.40 H new ATOM 0 HB2 HIS A 142 7.270 -1.779 22.705 1.00 72.23 H new ATOM 0 HB3 HIS A 142 7.618 -0.074 22.911 1.00 72.23 H new ATOM 0 HD2 HIS A 142 5.706 -2.917 24.699 1.00 31.24 H new ATOM 0 HE1 HIS A 142 5.158 0.611 26.980 1.00 54.41 H new ATOM 0 HE2 HIS A 142 4.834 -1.910 26.936 1.00 20.14 H new TER 2260 HIS A 142